Spectra For The Identification of Additives in Food Packaging PDF

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ETRA FOI
ITIFICATl
DDITIVEI
PACKAi
EN VAN LIEROl
IRENCE CAS"
,NDRE FEIGEI
ACHIM BOEI
ER ACADEMIC PUBLIÍ
SPECTRA FOR THE IDENTIFICATION
OF ADDITIVES IN FOOD PACKAGING
EUROPEAN COMMISSION
Edith CRESSON, Member of the Commission responsible
for Research, Innovation, Education, Training
and Youth
DG XII-C-05 - SMT Programme
European Commission
Directorate-General for Science, Research and Development
Standards Measurement and Testing Programme
Spectra for the Identification of

Additives in Food Packaging
by
Ben van Lierop

Food Inspection Service, Utrecht, The Netherlands
Laurence Castle
Ministry ofAgriculture, Fisheries and Food,
CSL Food Science Laboratory,
Norwich, United Kingdom
Alexandre Feigenbaum
Institut National de la Recherche Agronomique, Reims, France
and
Achim Boenke
European Commission, SMT Programme, DG XII/C5, Brussels, Belgium
14
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CONTENTS
Substance CAS No. PM Page No.

Ref. No.
Acids, fatty (C14-C18), alkyl (C14-C18) ester 85566-24-1 31304 9

Acrylic acid, 2-tert-butyl-6-(3-tert-butyl- 61167-58-6 31520 17
2-hydroxy-5-methylbenzyl)-4-methylphenyl ester
Adipic acid, bis(2-ethylhexyl) ester 00103-23-1 31920 22
Adipic acid, dibutyl ester 00105-99-7 32240 27
Alkyl (C10-C13)benzenesulphonic acid, sodium salt 33800 32
Alkyl (C10-C20)sulphonic acid, esters with phenols 34240 39
Azelaic acid, bis(2-ethylhexyl) ester 00103-24-2 36320 44
Azelaic acid, bis(6-methylheptyl) ester 00106-03-6 36400 49
2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene 07128-64-5 38560 54
N,N'-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) 32687-78-8 38800 59
propionyl) hydrazide
Bis(2,4-di-tert-butylphenyl)pentaerythritol 26741-53-7 38820 64
diphosphate
Bis(4-ethylbenzylidene) sorbitol 79072-96-1 38950 69
N,N-Bis(2-hydroxyethyl)alkyl(C8-C18)amine 71786-60-2 39090 74
N,N'-Bis(2-hydroxyethyl)lauramide 00120-40-1 39280 79
2,4-Bis(octylmercapto)-6-(4-hydroxy- 00991-84-4 40000 85
3,5-di-tert-buty 1-anilino)-1,3,5-triazine
2,4-Bis(octylthiomethyl)-6-methylphenol 110553-27-0 40020 90
Bisphenol A 00080-05-7 40060 95
tert-Butyl-4-hydroxyanisole 25013-16-5 40720 100
Citric acid, triethyl ester 00077-93-0 44640 105
Dibenzothiazyl disulphide 00120-78-5 46400 110
2,6-Di-tert-butyl-p-cresol 00128-37-0 46640 116
3,5-Di-tert-butyl-4-hydroxybenzylphosphonic 65140-91-2 46880 121
acid, monoethyl ester, calcium salt
2,4-Dihydroxybenzophenone 00131-56-6 48640 126
4,4'-Dihydroxybenzophenone 00611-99-4 48720 131
Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) 15571-58-1 50320 136
Di-n-octyltin bis(isooctyl mercaptoacetate) 26401-97-8 50480 142
N,N'-Diphenylthiourea 00102-08-9 51680 148
Dodecylbenzenesulphonic acid 27176-87-0 52000 156
Erucamide 00112-84-5 52720 160
2-Ethoxy-2'-ethyloxanilide 23949-66-8 53200 165
Ethylbenzene 00100-41-4 53255 170
Ν,Ν'-Ethylenebisstearamide 00110-30-5 53520 175
VI
Substance C A S No. P M Pag(:No.

Ref. No.
Ethyleneglycol bis(3,3-bis(3-tert-butyl- 32509-66-3 53670 180

4-hydroxyphenyl)butyrate)
2-Ethylhexanoic acid 00149-57-5 54120 185
Gallic acid, propyl ester 00121-79-9 55360 190
Glycerol monooleate 25496-72-4 56960 195
Glycerol monostearate 31566-31-1 57520 200
Glycerol triacetate 00102-76-1 57760 205
1,6-Hexamethylene bis(3-(3,5-di-tert-butyl- 23128-74-7 59120 210
4-hydroxyphenyl)propionamide)
1,6-Hexamethylene bis(3-(3,5-di-tert-butyl- 35074-77-2 59200 215
4-hydroxyphenyl)propionate)
4-Hydroxybenzoic acid, methyl ester 00099-76-3 60200 220
2-(2-Hydroxy-3,5-bis( 1,1 -dimethylbenzyl)phenyl) 70321-86-7 60320 225
benzotriazole
2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)- 03896-11-5 60400 230
5-chlorobenzotriazole
l-(2-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethyl 70198-29-7/ 60800 235
piperidine-succinic acid, dimethyl ester, copolymer 65447-77-0
2-Hydroxy-4-methoxybenzophenone 00131-57-7 61360 239
2-(2-Hydroxy-5-methylphenyl)benzotriazole 02440-22-4 61440 244
2-Hydroxy-4-n-octyloxybenzophenone 01843-05-6 61600 249
2,2'-Methylenebis(4-ethyl-6-tert-butylphenol) 00088-24-4 66400 254
2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 00119-47-1 66480 259
2,2 '-Methylenebis(4-methyl-6-cyclohexylphenol) 04066-02-8 66560 264
Monochlorobenzene 00108-90-7 67280 269
Mono-n-octyltin tris(2-ethylhexyl mercaptoacetate) 27107-89-7 67680 136
Mono-n-octyltin tris(isooctyl mercaptoacetate) 26401-86-5 67760 142
1-Octadecanol 00112-92-5 68225 274
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) 02082-79-3 68320 279
propionate
Oleamide 00301-02-0 68960 284
Hydrocarbon waxes, paraffin and microcrystalline 63231-60-7/ 71281 289
(hydrogenated) 08002-74-2
Pentaerytritol tetrakis(3-(3,5-di-tert-butyl- 06683-19-8 71680 294
4-hydroxy-phenyl)propionate)
2-Phenylindole 00948-65-2 72160 298
Phosphoric acid, diphenyl 2-ethylhexyl ester 01241-94-7 72800 303
Phosphoric acid, tributoxyethyl ester 00078-51-3 73600 308
Phosphoric acid, tributyl ester 00126-73-8 73680 313
vu
Substance C A S No. PM Page No.

Ref. No.
Phosphoric acid, triisobutyl ester 00126-71-6 73840 318

Phosphoric acid, triphenyl ester 00115-86-6 73920 323
Phosphoric acid, tris(2-ethylhexyl) ester 00078-72-2 74000 328
Phosphorous acid, tris(2,4-di-tert-butylphenyl) 31570-04-4 74240 333
ester
Phosphorous acid, tri(nonyl-and/or 26523-78-4/ 74400 340
dinonylphenyl) ester 01333-21-7
Phthalic acid, benzyl butyl ester 00085-68-7 74560 346
Phthalic acid, bis(2-ethylhexyl) ester 00117-81-7 74640 351
Phthalic acid, dibutyl ester 00084-74-2 74880 356
Phthalic acid, dicyclohexyl ester 00084-61-7 74960 361
Phthalic acid, diethyl ester 00084-66-2 75120 366
Phthalic acid, diisobutyl ester 00084-69-5 75280 371
Phthalic acid, diisodecyl ester 26761-40-0 75360 376
Phthalic acid, diisononyl ester 28533-12-0 75440 381
Phthalic acid, diisooctyl ester 27554-26-3 75520 386
Phthalic acid, dimethyl ester 00131-11-3 75600 391
Polydimethylsiloxane 09016-00-6/ 76720 396
61348-62-9
Polyethyleneglycol ether of tallow fatty alcohol 61791-28-4 77760 401
Polyethylene propylene)glycol 09003-11-6 79930 406
Poly olefins 68037-12-7 80550 411
Poly[6-[(l, 1,3,3-tetramethylbutyl)amino]- 71878-19-8 81200 416
l,3,5-triazine-2,4-diyl]-[(2,2,6,6-tertramethyl-
4-piperidyl)imino]hexamethylene[(2,2,6,6-tetramethyl
4-piperidyl)imono]
Sebacic acid, bis(2-ethylhexyl) ester 00122-62-3 85120 421
Sebacic acid, dibutyl ester 00109-43-3 85360 426
Sorbitan monolaurate 01338-39-2 87600 431
Sorbitan monooleate 01338-43-8 87680 436
Sorbitan monostearate 01338-41-6 87840 441
Stear amide 00124-26-5 88960 446
Stearic acid, butyl ester 00123-95-5 89120 451
Stearic acid, esters with pentaerytritol 08045-34-9 89520 456
Stearoylbenzoylmethane 58446-52-9 90720 460
Sulphosuccinic acid, bis(2-ethylhexyl) ester, 00577-11-7 91572 465
sodium salt
Tetrakis(2,4-di-tert-butylphenyl)-4,4'- 38613-77-3 92560 470
biphenylylene diphosphonite
Vill
Substance CAS No. PM Page No.

Ref. No.
4,4'-Thiobis(6-tert-butyl-3-methylphenol) 00096-69-5 92800 475

Thiodiethanol bis(3-(3,5-di-tert-butyl- 41484-35-9 92880 480
4-hydroxyphenyl) propionate)
Thiodipropionic acid, didodecyl ester 00123-28-4 93120 485
Thiodipropionic acid, ditetradecyl ester 16545-54-3 93360 490
Triethyl acetylcitrate 00077-89-4 94240 495
Triethyleneglycol bis(3-(3-tert-butyl- 36443-68-2 94400 500
4-hydroxy-5-methylphenyl) propionate)
1,1,1 -Trimethylolpropane 00077-99-6 94960 505
l,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4- 01709-70-2 95200 510
hydroxybenzyl)benzene
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)- 27676-62-6 95360 515
l,3,5-triazine-2,4,6(lH,3H,5H)-trione
Contents in CAS number order 520

Polymer abbreviations 524
CHAPTER 1
Introduction
This new book on additives used in plastics for food contact, can be seen as a
companion to the 1993 publication Spectra for the Identification of Monomers in Food
Packaging [1, 2]. That earlier book presented information on monomeric substances
listed in Directive 90/128/EEC [3], which restricts the range of monomers and other
starting substances that can be used for the production of plastics materials and articles
intended for food contact applications.
As a logical supplement to the collection of monomers and other starting substances, the
preparation of a reference collection and a Handbook of analytical data of additives was
undertaken with funding from The European Commission under the Standards
Measurements and Testing programme. We then give a collection of spectra for the
identification of 100 of the most important additives used in plastics packaging and
coatings. Infra-red (FT-IR) and mass spectra (MS) are presented, as in the monomers
book, but we have extended the scope to include proton nuclear magnetic resonance
('H-NMR) spectra and gas-chromatographic (GC) data.
Legal Framework
The Commission of the European Communities provides in Synoptic Document N. 7 [4]

a provisional list of additives used for the production of food contact plastics. This
Synoptic Document anticipates a Directive on additives for food contact plastics. One
hundred of the most important additives were selected from this provisional list after
extensive consultation with researchers in the field and with representatives from
European industry (Food Contact Additives Panel (FCA) sector group of the European
Chemical Industry Council (CEFIC).
Although the additives are listed in [4], it is still yet undecided exactly how control on
their use would be best exercised. The two most likely forms of control are a restriction
on the migration of the specific substances to food or food simulants (SMLs, specific
migration limits) or controls on the composition of the plastic (QMs, maximum quantity
of the substance in the material). Several studies have been carried out to inform this
debate, to relate the maximum level of residual substance in the finished plastic (QM
limit) with the amount of substance migrating to foods or food simulants under defined
conditions (SML limit). Most recently, in the EU project AIR-941025 Safety and Quality
Control of Plastic Materials for Food Contact [5] coordinated by one of us (Alexandre
Feigenbaum, Institut National de la Recherche Agronomique), the substances in the
polymer are first identified with the aid of a reference collection of additives. In
subsequent parts of the project, a mathematical model was developed to relate SM values
to QM values. It will be necessary to validate the migration model by generating the
necessary experimental data.
1
These developments notwithstanding, in fact whichever form of control, SML or QM, is
finally adopted for additives, the first step in any investigation must be to identify the
substances that may migrate and therefore need to be quantified. This book delivers data
for this identification.
Implementation of legislation
Although the principles intended to govern the control of materials and articles are clear
from the relevant Directives, the practical problems of implementation and the
development of an approach that should be adopted by enforcement authorities in real
situations, have not yet been addressed. The most systematic approach to control has
been elaborated in the Netherlands to meet Dutch Regulations [6-9] in existence before
Directive 90/128/EEC. The approach used has been to initially identify polymeric
materials by infra-red spectra and then to identify the substances in solvent extracts by
gas-chromatography - mass spectrometry (GC-MS) and by liquid chromatography (LC).
Practical application of this approach over more than ten years has shown that
considerable experience is required in knowing what type of polymer is used in what
food contact situation, as well as the likely additives and other constituents that might be
present. The Dutch test method has been discussed in the CEN working group WG2 of
Technical Committee TC 194 and a CEN standard is in preparation [10]. The Dutch
method is applied in its original or slightly modified form in e.g. government
laboratories in Denmark, Greece, Norway, Sweden and Switzerland and in industrial test
labs (especially by converters). Spectroscopic and chromatographic information as well
as access to authentic reference substances are essential to carry out this work.
This Handbook will be of practical assistance to enforcement laboratories in the

European Union and to industry laboratories needing to demonstrate compliance. Also,
to Universities and other research establishments who undertake more fundamental
research into migration from plastics. If the models for predicting migration will be
generally applied then identification of additives is essential. In addition to the
spectroscopic and other information contained in this Handbook, there exists a physical
collection of these reference substances of known provenance and from which the
spectra were obtained. Reasonable requests for these reference substances themselves
will be met on application to the address below. These substances will be supplied neat
or as a reference solution where appropriate from:
Plastics Reference Collection of Additives

Food Inspection Service Utrecht
Specialisatie Verpakkingen
Nijenoord 6, 3552 AS Utrecht
Postbox 10123, 3505 AB Utrecht
The Netherlands
tel +31-30-2461-611
fax +31-30-2422-566
E-mail igbut@wxs.nl and/or lieropb@worldonline.nl
Scope of the Handbook
EC Directive 90/128/EEC controls the safety of plastics food packaging materials by

limiting through a positive list the substances permitted to be used as monomers and
other starting substances for the production of plastics. After monomers the European
Commission will regulate plastics additives. The additives used in plastics intended for
food contact are listed in Commission working documents ('Synoptic Documents'). This
project was started on the basis of Synoptic Document N. 5 and for the final selection of
additives the Synoptic Document N. 7 [4] was used.
The basis for selection of the one hundred most important additives were the usage, the
level of the tolerable daily intake figure (which indicates if any control e.g. by QM or
SML is needed) and, finally, the intrinsic likelihood of migration.
Entries for each substance provide the structural formula, the CAS number and the PM
reference number, which is the number by which substances are indexed by the
Commission services e.g. in Directives and Synoptic Documents. Alternative names
whether systematic IUP AC nomenclature or trivial names, are given as a further aid to
identification.
Physical characteristics such as solubility in common organic solvents are described

although these are indicative only and not definitive nor exhaustive. These have been
taken from datasheets from the suppliers of each substance. Stability of the additive
under test is important and the user of this handbook is recommended to check for
stability before conducting quantitative extraction or migration tests. Information on the
stability of each additive can only be obtained by extensive investigation. The stability of
additives in food simulants has been investigated in EU project AIR3-CT94-2360
Stability of Plastic Additives in Food Simulants and this is a useful reference source [11].
Some indications for handling are included, but safety requirements for the handling of
chemicals vary from country to country. Therefore the safety precautions are given in
very general terms and are not intended to have any legal status.
Information on current use of the additives is given. This information was obtained after
consultation with industry (FCA, sector group of CEFIC). Also the personal experience
of the participants was taken into account.
The retention times of the additives which could be analysed by GC under the conditions
described in Chapter II, are given in minutes. GC was performed using the normal
hydrocarbons C12, C20 and C24 as retention time markers. This allows the calculation of
retention indices which will facilitate the identification of additives. This calculation can
be carried out by relating the measured retention time of the reference substances to the
retention times of the hydrocarbons CI2, C20 and C24. A possible formula is given by
Guiochon and Guillemin [12]. All the additives were analysed under the same gas
chromatographic conditions.
The Fourier transform infra-red spectra were recorded in two laboratories as a check of
the data. Comparison with literature spectra could seldom be carried out because these
were not usually available. The FT-IR spectra can be used either to identify the
substance as such, or to identify additives in subtracted spectra. The spectra can be
added to existing data bases.
Mass spectra are similarly meant to complement existing data bases. Mass spectra are
very suitable to identify additives in solvent extracts of food contact polymers. For
substances that can be analysed by GC the mass spectra were measured on two GC-MS
systems to generate classical electron-impact spectra. However many additives cannot be
analysed by GC for reasons of e.g. low volatility or thermal instability. For these
substances the rapidly developing technique of LC-MS is suitable. A limitation of
current LC-MS instrumentation is that most ionisation interfaces do not give consistent
and library-searchable spectra. One exception to this is the particle-beam interface which
gives classical electron-impact spectra. So for additives that could not be analysed by
GC, then direct source injection or flow-injection particle beam MS analysis was
applied. These spectra were recorded twice in the same laboratory (separated by several
weeks) to check for consistency.
Proton magnetic resonance ('H-NMR) spectra displayed in this Handbook were recorded
in two different laboratories as a double check. The spectra can be used to identify
additives either pure, or as constituents of polymer extracts [5]. In the research project
AIR-9411025 [5], it has been shown that 'H-NMR is a powerful tool for the quality
control of most food packaging plastics, specially in an industrial framework. The
materials are extracted by a suitable solvent. After evaporation to dryness, the 'H-NMR
spectrum of the extract is recorded. This spectrum can be used as a fingerprint of the
material. Using the data base of this Handbook and relying on experience for
interpretation it is possible to decide very quickly about the presence or the absence of
an additive in the material. 'H-NMR requires quite expensive equipment, but the
essential information can often be obtained in a very short time from the spectra [13-15].
This approach therefore efficiently complements methods previously developed.
It should be noted that the substances supplied by industry were representative of current
usage and were of good technical quality but were not necessarily fine chemicals of
analytical purity (e.g. >99.5%). They could contain therefore the normal and inevitable
minor feedstock and reaction impurities and especially (where applicable) isomeric
'impurities'. For FT-IR, 'H-NMR and flow-injection MS analysis, these impurities will
be included in the spectra and may or may not be discernible. In contrast, for GC-MS
analysis where acquisition of a spectrum is preceded by some chromatographic
separation, these impurities will have been removed to a greater or lesser extent from
the resulting spectrum. This is also true for sample introduction into the MS by direct
probe where preferential evaporation from the heated probe can occur. The user of this
handbook should bear this in mind, the nature of spectra acquisition, when comparing
these reference spectra to any spectrum generated in his/her own investigations.
Acknowledgments
Special thanks go to Karl Ehlert from FISU, who undertook the large task of preparing
the camera-ready datasheets. We are very grateful to our colleagues who provided the
analytical data. 'H-NMR spectra were provided by prof James Bouquant (Université de
Reims) and D enise Scholler (INRA) and by Chris Honeybone and Katrina Mountfort
(MAFF). Special thanks to prof Bouquant for interpretation of the 'H-NMR spectra and
his scientific contribution to the project. The infra-red spectra were provided by Marjan
van der Beek (FISU) and Janine Le Sech (INRA). The mass spectra were provided by
Teuni Volp (FISU) and by Phil Clarke, Simon Hird and Andy D amant (MAFF). The
gas-chromatographic retention times were measured by Karl Ehlert (FISU).
The success in producing this Handbook has also been due to assistance in supplying
samples and to the information made freely available by European industrial and
Government sources too numerous to mention. We are specially grateful to R. Ashby
(ICI), J. Autin (CEFIC-FCA), J. Gonzalez (CICC), K. Hinrichs (Henkel), S.E.P.G.
Merckx (General Electric), U. Schönhausen (Ciba Geigy) and H. Vergallen (Premark
Resources).
References
[1] Bush, J., Gilbert, J. and Goenaga, X. Spectra for the identification of monomers
in food packaging. Kluwer Academic Publishers, D ordrecht,
The Netherlands, 1993.
[2] Gilbert, J., Bush, J., Lopez de Sa, Α., Lierop, J.B.H, van and Goenaga, X.
Establishment of a reference collection of substances and an analytical handbook
of reference data to support enforcement of EC regulations on food contact
materials. Food Additives and Contaminants, 1994, 11, 71-74.
[3] Commission D irective 90/128/EEC of 23 February 1990 relating to plastics
materials and articles intended to come into contact with foodstuffs. Official
Journal of the European Communities L349, 26-47.
[4] Synoptic document N. 7. D raft of provisional list of monomers and additives used
in the manufacture of plastics and coatings intended to come into contact with
foodstuffs. Commission document CS/PM/2356. Brussels, 15 May 1994.
[5] Project AIR-941025. Safety and Quality Control of Plastic Materials for Food
Contact Materials. Final report 1997. In preparation.
[6] WARENWET, 1988, D utch Food Law, Packaging and Utensils Regulation
(VGB).
[7] Battum, D . van and Lierop, J.B.H. van. Testing of food contact materials in the
Netherlands. Food Additives and Contaminants, 1988, 5, 381-395.
[8] Lierop, J.B.H. van. Enforcement of European Community legislation at the
national level. Food Additives and Contaminants, 1994, 11, 131-139.
[9] Lierop, J.B.H. van. Enforcement of food packaging legislation. Food Additives
and Contaminants, 1997, 14, 555-561.
[10] Battum, D. van and Lierop, J.B.H. van, 1997 Materials and articles in contact
with foodstuffs, Guide for examination of plastic food contact materials. CEN TC
194/SC1/WG2 document NI 18.
[11] Project AI R3-CT94-2360. Stability of plastic additives in food simulants.
Final report 1997.
[12] Guiochon, G. and Guillemin, C.L., Quantitative Gas Chromatography, Elsevier,
1988.
[13] Castle, L., Nichol, J. and Gilbert, J. Migration of polyisobutylene additive from
polyethylene films into foods during microwave and domestic oven use. Food
Additives and Contaminants, 1992, 9, 315-330.
[14] Feigenbaum, Α., Bouquant, J., Hamadi, M., Métois, P., Riquet, A. M. and
Scholier, D. Quick methods to control compliance of plastic materials with food
packaging regulations. Food Additives and Contaminants, 1997, 14, 571-582.
[15] Métois, P., Scholier, D., Bouquant, J. and Feigenbaum, A. Alternative test
methods to control the compliance of food packaging materials with the European
Union regulation: the case of aromatic antioxidants and of bis(ethanolamine)
antistatics based on 'H-NMR and UV-visible spectrophotometry. Food Additives
and Contaminants, 1997, in press.
CHAPTER 2
GC retention times
It is described in the Dutch test method that a first identification of the additives can be
performed by determination of the gas-chromatographic retention times. Therefore we
provide the retention times of the additives which could be analysed by GC. The GC
analysis was carried out on a Perkin Elmer autosystem XL with the following
conditions. The column was a Hewlett Packard Ultra 1 column, 50 m χ 0.32 mm with a
film thickness of 0.52 μπι of crosslinked methylsiloxane. The temperature program was
5 min at 50°C then raised at 5°C/min to 320°C and held for 26 min. The carrier gas
was helium at 3.5 mL/min. The temperature of the injector was 260°C and injections of
1 /iL of substance dissolved in diethylether were injected splitless. The flame ionisation
detector used was held at 325°C. Under these conditions the retention times of the
hydrocarbon markers were 20.1, 38.5 and 45.2 min for Ci2, C20 and C24 respectively.
Retention indexes of the reference substances can be calculated on basis of these
retention times [12].
Infra red spectra
The manner in which Fourier Transform Infra-Red (FT-IR) spectra were obtained
depended on the physical nature of the substance. The techniques used were formulation
into KBr pellets and deposition onto KBr, KRS-5 or NaCl windows. Thus, ca. 1 mg of
substance was mixed with KBr (50 mg) in a mortar. When transmission of the major
peaks was low a larger amount of substance was used until all peaks had a satisfactory
intensity. Spectra were acquired at 4 cm' resolution using a MIDAC spectrometer. The
sample and reference cell were scanned 60 times at 1.4 s/scan and the mean difference
spectrum was plotted. FT-IR spectra were checked in a second laboratory using different
instrumentation and conditions.
Mass spectra
Mass spectra were recorded under standardised conditions and a common format for
data presentation has been adopted for each entry.
For GC-MS, spectra were obtained using an updated Finnigan Mat SSQ 70 mass
spectrometer coupled to a Varian 3400 gas Chromatograph. Ionisation was by electron
impact at 70 eV with a source temperature of 180°C. The scan range was 40 - 700
daltons. The GC was equipped with a J&W DB5ms capillary column, 30 m χ 0.32 mm
with a film thickness of 0.52 /im5% phenyl / 95% dimethylpolysiloxane. The GC
temperature programme was 3 min at 40°C then raised at 20°C/min to 320°C and held
at that temperature for 20 min. A solution of 100 /ig/mL of the reference substance was
prepared for the measurement in the GC-MS. As a check and also for substances that
could not be analysed by GC-MS, mass spectra were also obtained in a second
laboratory using different instrumentation and conditions.
7
8
Direct insertion probe MS spectra were acquired on a VG 7070 mass spectrometer. The
substance dissolved in a suitable solvent was introduced into the mass spectrometer by
the direct insertion probe heated at 350-400°C. In a small number of cases it was
necessary to introduce the solid substance (for reasons of poor solubility) or to heat the
probe to a higher temperature (for reasons of involatility). Electron impact spectra at
70 eV were recorded. Spectra were averaged and background-subtracted.
For particle - beam MS analysis, a VG Autospec magnetic sector mass spectrometer

fitted with a VG LINC-Particle Beam Interface was used. Electron impact ionisation was
used with 70 eV electron energy, a trap current of 500 μΑ and a source temperature of
250°C. The temperature of the expansion/desolvation chamber was set at 60°C. An
HPLC pump was used to deliver the mobile phase (methanol) at a flow rate of
0.5 mL/min to the PB interface. The samples were dissolved in a suitable solvent at
1 mg/mL then diluted immediately prior to analysis to 100 μg/mL. Portions (10 /¿L)
were injected to give a spectrum of appropriate intensity. The scan range was 40 to
1000 daltons with a 1.5 s scan time and an inter-scan delay of 0.5 s. The spectrometer
was tuned using PFK to a resolution of better than 1000 and then calibrated. The
nebuliser gas pressure and nebuliser position were optimised using 50 /¿L injections of
1.0 /¿g/mL caffeine solution.
NMR spectra
'H-NMR spectra were recorded using a Bruker AC 250 spectrometer (250 MHz) to
average 16 scans of a 30 mg/ml solution of each additive at 25°C in CDC13 containing
tetramethylsilane (TMS). Where solubility in CDC13 was poor, an alternative solvent was
used and this is noted on the spectrum. For substances with a complex spectrum, a
greater number of scans were averaged and this is also noted.
Acids, fatty (C 14 -C 18 ), alkyl (C14-C18) ester
Ri—C—0—R
CAS No. - 85566-24-1

PM Ref. No. -31304
Restrictions - None
Formula -
Molecular weight -
Alternative names -
Physical Characteristics - White flake

Soluble in ether, hexane, toluene, chloroform,
dichloromethane.
Handling - Store at room temperature.

Safety
Availability - Standard sample was supplied.
Current uses - Lubricant.

Applications - General use.
GC Retention time - 53.3, 55.9, 58.2, 60.6 min.

105.000
88.000 _
71.000
n 54.000 _
37.000
20.000
4000.00 3280.00 2560.00
Name : ACIDS, FATTY (C14-C18), ALKYL (C14-C18) ESTERS
PM Nr : 31304 CAS Nr : 85566-24-1

K B r pellet
I 1
CAS No. 85566-24-1 PM Ref. No. 31304
ACIDS, FATTY (C 14-C ie), ALKYL (C 14-C 18) ESTERS
Peak wavenumber %T Relative intensity

407.0 74.0 34.6
719.5 85.1 19.7
729.2 86.4 18.1
1182.5 75.8 32.1
1199.9 79.6 27.1
1221.1 86.5 18.0
1311.8 90.9 12.1
1377.3 89.9 13.4
1464.2 75.8 32.1
1473.8 76.6 31.1
1732.3 58.5 55.1
2849.2 33.0 88.9
2916.7 24.7 100.0
2957.2 62.5 49.8
12
Acids, fatty (C,4-C18), alkyl (C,4-C18) ester
97
213 239
I 157
I I
185 1225 I
u ■v-X
M/Z I on I ntensity (%) M/Z Ion I ntensity (%)
43 1 00.0 97 28.8
57 78.2 111 17.7
69 31.4 168 34.1
71 34.0 213 6.2
73 15.5 239 6.4
S3 34.6 257 41.2
84 13.7 424 3.7
85 19.8
Spectrometer Finnigan Mat SSQ 700

Inletsystem Capillary GC/MS
Source Temperature 180°C
Electron Energy 70 eV
Scan Range 40-500
13
Acids, fatty (C14-C18), alkyl (C14-C,8) ester
?57
112 125 I
ι I—
140 196
J+
153 186 I 213 241
L" Ί 1 , I 1 π li
2 00 3 00
M/Z Ion Intensity (%) M/2 Ion Intensity (%)
41 55.4 97 22.7
43 1 00.0 111 9.5
57 73.9 112 11.3
69 32.3 125 10.8
71 39.7 168 21.2
73 17.2 257 14.3
S3 34.9 285 12.9

Scan Range 40-500
14
Acids, fatty (C14-Clg), alkyl (C14-C18) ester
:. 57
I
239
138 157 171 185 285 297
k4 ,Ιιι,ί, , J , J , ,
2OD
i r
M/Z Ion Intensity (%) M/Z Ion Intensity (%)
41 32.7 83 37.6
43 1 00.0 85 24.6
57 85.6 97 27.2
69 35.2 111 19.0
71 50.4 125 7.2
73 11.2 257 32.4

Scan Range 40-500
15
Acids, fatty (C 14 -C 18 ), alkyl (C 14 -C 18 ) ester
71 83
Γ
0 0-;
ι
25J.
19 6
130 169 , 229
υ uUîi
I t l , ι ιί,Ι , . . , 1 , In ■ ■ ■ ■ I ■
400
41 43.7 85 24.3
43 1 00.0 97 30.2
57 99.0 111 13.3
69 35.9 125 11.2
71 39.4 224 10.5
73 16.4 257 32.4
83 36.6

Scan Range 40-500
f PM n° Λ ( CAS n° "| Name 1
[ 31304 J ^ 85566-24-1 J Solvent CDCL3
ACIDS, FATTY (Cu-Ci,), ALKYL (C|4-C,g) ESTERS SF 250.13
SI 16384
sw 3125
NS 32
S=JLL
π ι Γ τ τ η - η τ ι t ι ι ι ι ι ι ί ι ì ι~ρ
1
Ι Τ Τ 'T'I'I I 1 I 1 | I' ι ι ι ι ι ι ι ι | ι ι ι ι ι | ι ι ι ι
3 2 1 ο
(ppm)
17
Acrylic acid, 2-tert-butyI-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-

methylphenyl ester
tert. Butyl
CAS No. -61167-58-6

PM Ref. No. - 31520
Restrictions - SML = 6.0 mg/kg
Formula - C26H3403
Molecular weight - 394
Alternative names - 2-(l,l-Dimethylethyl)-6-[[3-(l,l-di-methylethyl)-

2-hydroxy-5-methylphenyl]methyl]-6-methyl-
phenyl-acrylate
Physical Characteristics - White granules, mp 131.9°C.

- Soluble in acetone, chloroform, dichloro-
methane.

Safety
Current uses - Antioxidant.

Applications - Non polyolefins.
GC Retention time - 47.1 min.

105.000
84.000 _
63.000
« 42.000 _
21.000 _
0,000
4000,00 3280.00 2560.00
Name : ACRYLIC A C S 2 ^ E R T - B L r r Y L ^
4-METHYLPHENYL ESTER
PM Nr: 31520 CAS Nr:61167-58-6
KBr pellet
19
CAS No. 61167-58-6 PM Ref. No. 31520
ACRYLIC ACID,2-TERT-BUTYL-6-(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)-
4-METHYLPHENYL ESTER

420.5 90.3 10.0
464.9 67.7 33.2
524.7 79.7 20.9
775.5 66.7 34.2
787.1 75.0 25.7
804.4 38.5 63.2
658.4 38.4 63.3
885.4 73.9 26.8
916.3 65.4 35.6
931.7 76.4 24.3
985.7 28.3 73.7
1012.8 78.6 22.0
1028.2 68.3 32.6
1068.7 75.9 24.8
1111.1 31.3 70.6
1163.2 3.7 99.0
1180.6 2.7 100.0
1217.2 30.2 71.7
1226.9 25.7 76.4
1257.7 42.3 59.3
1296.3 25.5 76.6
1325.3 51.1 50.3
1360.0 39.6 62.1
1379.3 70.3 30.5
1388.9 53.5 47.8
1406.3 16.1 86.2
1439.1 34.0 67.8
1477.7 33.0 68,9
1508.5 84.4 16.0
1599.2 78.3 22.3
1633.9 42.1 59.5
1655.1 85.1 15.3
1686.0 79.1 21.5
1730.4 8.6 93.9
2868.5 38.1 63.6
2916.7 33.4 68.4
2957.2 18.2 84.1
3005.5 53.5 47.8
3493.5 13.3 89.1
20
Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-

methylphenyl ester
20 3
161 39JL
I
i 77
30 0
91
305
I li? 4
U Ml, J II, ι Jl.l:
u Je
300
41 22.7 265 10.0

55 92.8 319 13.2
57 74.2 339 51.9
91 10.4 340 12.1
105 14.1 361 100.0
121 16.5 362 22.1
161 43.3 376 13.5
177 29.6 394 43.7
263 47.4 395 11.4

Scan Range 40-400
PMn° i f CASn0 I" Name "N
31520 J ^ 61167-58-6 ACRYLIC ACI D, 2-TERT-BUTYL-6-(3-TERT-BUTYL-2-HYDROXY- Solvent CDCL3
5-METHYLBENZYL)-4-METHYLPHENYL ESTER SF 250.13
SI 16384
SW 3125
NS 16
■ - r f
1.5 8.0 7.5 7.0 6.5 6.0 5.5

L
5.0 4.5 4.0 3.0 2.5
lu-
2.0
ii
1.5
L
1.0 0.5 0.0
(ppm)
M
22
Adipic acid, bis(2ethylhexyl) ester
Ç2H5 0 0 C2H5
I il f , ι| I
C4H9—CH—CH2—0—C-^CH2)-C—O—CH2—CH—C4H9
CAS No. 00103-23-1

PM Ref. No. 31920
Restrictions SML = 18 mg/kg
Formula C22H4204
Molecular weight 370
Alternative names Hexanedioic acid, bis(2-ethylhexyl) ester,

Di(2-ethylhexyl) adipate, D ioctyl adipate
Physical Characteristics Colourless liquid, mp -67.8°C, bp 360°C.

Soluble in alcohol, ether, acetone, acetic acid.
Handling Store at room temperature.

Safety
Availability Standard sample was supplied.
Current uses Plasticizer.

Applications PVC, PVD C, coatings, paper.
GC Retention time 45.0 min.

105.000
84.000 _
63.000
™ 42.000 _
21.000 _
0.000
4000.00 3280.00
Name : ADIPIC ACID, BIS(2-ETHYLHEXYL) ESTER
PM Nr : 31920 CAS Nr : 00103-23-1

K B r pellet
(O
U>
24
CAS No. 00103-23-1 PM Ref. No. 31920
ADIPIC ACID, BIS(2-ETHYLHEXYL) ESTER

455.3 92.0 8.8
484.2 93.6 7.2
501.6 94.6 6.0
731.1 88.0 13.3
771.6 86.6 14.8
904.7 89.3 11.9
966.5 84.1 17.6
1014.7 77.7 24.7
1062.9 77.6 24.9
1078.3 74.0 28.8
1142.0 37.0 69.9
1172.9 25.4 82.8
1242.3 40.5 66.0
1360.0 64.0 39.9
1383.1 57.2 47.5
1419.8 73.3 29.6
1464.2 40.9 65.6
1738.1 9.85 100.0
2862.7 31.63 75.8
2874.3 30.47 77.1
2934.1 13.80 95.6
2959.2 14.48 94.9
3454.9 90.07 11.0
25
Adipic acid, bis(2-ethylhexyl) ester
1001 li 9 PM31920 «xlOO.OO-« -7.ÖE5
95. -6.7E5
90j -6.3E5
85j .6.0E5
BOJ .5.6E5
75_ -5.3E5
7Dj -4.9E5
65_ 370 -4.6E5
60j -4.2E5
55j -3.9E5
50. ,3.5E5
45. =7 -3.2E5
40. 1 2 -2.8E5
35j ,2.5E5
71
30J -2.1E5
1 7
25J -1.8E5
20. U.4E5
83
15. .1.1E5
1
241
10_ 101 I 259 .7.0E4
5. .3.5E4
0
40
l, , . I
60 tJ 1X
80 100 lio _J
140
1 ,,
1¿0 lâo
Ι
2¿0
ι
220
1
240 260 280 300 320 340 360 380
-.O.OEO
4 0 M/Z
43 20.8 WO 5.5
55 30.4 101 10.1
56 11.6 111 14.7
57 45.6 112 40.1
69 8.7 113 18.1
70 31.7 129 100.0
71 32.4 130 5.9
83 16.0 147 25.9
84 10.5 241 11.5
87 7.0 259 9.4
Spectrometer VG Autospec
Inletsystem Flow injection particle beam MS
Source Temperature 250° C
Scan Range 40-1000
io
J
fPMn° ^ f CAS n° ^ Name
l 31920 J I 00103-23-1 J ADIPIC ACID, BIS(2-ETHYLHEXYL) ESTER Solvent CDCL
SF 250.13
SI 16384
SW 3125
NS 32
(ppm)
27
Adipic acid, dibutyl ester
O o
C4H9—O—C-(:CH 2 j—C—O—C4H9
CAS No. - 00105-99-7

PM Ref. No. - 32240
Restrictions - SML = 3.0mg/kg
Formula - C14H2604
Molecular weight -258
Alternative names - Hexanedioic acid, dibutyl ester

Dibutyl adipate
Physical Characteristics - Colourless liquid, mp -32.4°C,

- Soluble in alcohol, ether, aceto

Safety -
Current uses - Plasticizer.


to
GO
105.000
90.000
75.000 _
60.000
45.000
30.000
4000.00 3284 00 2568.00
Name -ADIPIC ACID, DI-N-BUTYL ESTER
P M N r : 32240 CAS Nr : 00105-99-7

KBr pellet
29
CAS No. 00105-99-7 PM Ref. No. 32240
ADIPIC ACID, DI-N-BUTYL ESTER

414.8 77.2 25.8
434.0 78.2 24.6
455.3 94.2 6.6
470.7 93.1 7.8
511.2 84.0 18.1
586.4 82.4 19.9
667.5 88.8 12.7
738.8 83.0 19.2
947.2 78.7 24.0
1024.3 73.9 29.5
1076.4 55.6 50.2
1147.8 32.3 76.5
1180.6 19.0 91.5
1242.3 28.2 81.1
1360.0 48.6 58.0
1392.8 50.9 55.4
1421.7 61.4 43.6
1462.2 42.0 65.5
1504.7 88.9 12.5
1730.4 11.5 100.0
2766.3 91.2 10.0
2874.3 34.9 73.5
2945.7 20.8 89.5
3115.4 68.8 35.2
3138.6 71.2 32.5
3206.1 67.4 36.8
3233.1 65.2 39.4
3269.7 63.2 41.6
3294.8 61.0 44.0
3304.5 57.8 47.7
3323.8 58.8 46.5
3341.1 59.1 46.2
3379.7 53.0 53.1
3418.3 49.5 57.1
3443.4 46.9 60.0
3472.3 46.9 60.0
3634.3 77.2 25.8
3659.4 80.1 22.5
3686.4 81.9 20.4
3705.7 87.1 14.6
30
Adipic acid, dibutyl ester
100
60 -
40
29 45.4 100 23.0

41 47.8 101 24.9
43 20.7 111 53.9
55 50.7 129 84.7
56 44.9 143 26.3
57 28.8 156 23.7
83 17.8 185 100.0
87 30.1 186 10.0

Scan Range 25-500
f PMn° "I
132240
f CAS n°
[ 00105-99-7
^ Name
ADIPIC ACID, DI-n-BUTYL ESTER
1 Solvent
SF
SI
CDCL3
250.13
16384
SW 3125
. NS 32
I 1 | I i 1 I I I I I I I I I I I
(ppm)
32
Alkyl (C10-C13)benzenesulphonic acid, sodium salt
-ONa
CAS No.
PM Ref. No. - 33800
Restrictions - None
Formula
Molecular weight
Alternative names -
Physical Characteristics - Light beige past.

- Soluble in water, alcohol, ether.

Safety - Irritant.
Availability - Preparation in aqueous solution.
Current uses - Antistatic agent, emulsifier.

Applications - PP, PVC.
GC Retention time - Alkyl (C10-C13)benzenesulphonic

cluster 28.3 - 39.9 min.
105.000
87.000 _
69.000
¡5 51.000 _
33.000 _
15.000
4000.00 3280.00 2560.00 1840.00
Name : ALKYL (C10-C13) BENZENESULPHONIC ACID
PM Nr : 33800 CAS Nr :
KBr pellet
34
CAS No. PM Ref. No. 33800
ALKYL(C 10-C13) BENZENESULPHONIC ACID

445.6 89.5 13.2
468.8 91.1 11.2
584.5 65.1 43.9
611.5 72.5 34.6
692.5 68.8 39.3
833.4 75.3 31.1
1012.8 55.5 56.0
1045.6 43.6 71.0
1132.4 41.4 73.7
1197.9 21.1 99.3
1466.1 71.6 35.7
1496.9 89.2 13.6
1603.0 85.1 18.8
2855.0 39.5 76.2
2924.4 20.5 100.0
2957.2 40.1 75.4
3437.6 70.1 37.6
35
Alkyl (C!0-C13)benzenesulphonic acid, sodium salt
91
100
147
105 I
74 161 218
I
Λ1 57 10i_ 128
I 55 il 67 92 119 I i- 177 188 202
Ml |~Π 11. I| I „I ,ii .!.Γ ι ι :
100 200
41 7.5 104 5.3

43 6.4 105 21.1
57 6.7 147 21.7
59 6.1 161 9.2
74 8.1 218 10.2
91 1 00.0 219 0.4

Scan Range 40-500
36
161
41
Γ« 55
I« 189
147
IE I I, II, Ι,ι
192
Γ 209
I
, 'I'
'
L I "in,',' T
50 100 150
200
41 13.9 105 17.9

43 10.3 119 4.5
55 9.5 133 4.4
57 5.0 161 19.6
91 1 00.0 189 5.3
92 6.1

Scan Range 40-500
37
1 79
5? 117 133 147 164 218 241
ι 111. ■ ι ■ ι. ',ΐΙ.ι. . Λ . J. .'. "Τ 7 "
τ
■ I '
200
300
100
M/Z I on Intensity (%) M/Z Ion Intensity (%)
41 16.28 105 100.0

43 8.6 106 7.9
79 7.4 232 8.1
91 16.5

Scan Range 40-500
OJ
oo
PMn°
33800
)(rD Name
ALKYL (C10-C3) BENZENSULPHONIC ACID
) Solvent
SF
SI
CD3OD
250.13
16384
SW 3125
NS 36
80 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
39
Alkyl (Ci0-C20)sulphonic acid, esters with phenols
R O .Ri
+°<?
o —
CAS No.
PM Ref. No. - 34240
Formula
Molecular weight
Alternative names -
Physical Characteristics - Colourless liquid.

- Soluble in water, alcohol, ether

Safety

Applications - PVC.
GC Retention time - Cluster 40.9 - 52.0 min.

•t*
o
105.000
88.000
71.000
S 54.000
37.000
20.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm'1
Name : ALKYL (C10-C20) SULPHONIC ACID, ESTERS WITH PHENOLS
PM Nr : 34240 CAS Nr :
KBr pellet
41
CAS No. PM Ref. No. 34240
ALKYL (C io-C 20) SULPHONIC ACID, ESTERS WITH PHENOLS

414.8 88.7 15.6
439.8 88.2 16.3
542.1 85.2 20.4
621.2 88.1 16.4
688.7 62.0 52.3
729.2 68.5 43.4
775.5 56.0 60.6
860.4 28.2 98.8
910.5 83.1 23.3
1024.3 85.8 19.6
1145.9 27.4 100.0
1169.0 52.7 65.1
1192.2 50.6 68.0
1352.3 45.9 74.4
1489.2 41.6 80.4
1589.5 78.3 29.9
2855.0 46.6 73.5
2928.3 27.60 99.7
42
Alkyl (C10-C20)sulphonic acid, esters with phenols
1ÔÓI 94 n »JO.UU —Êm— H 4.JE6
95. 4.1£t
ao. i ILL
85 .3.7«
ao. FH3124D i.iti
15. 3.2EÍ
70. .3.OKS
65. 2 .BUG
60. ï . LL b
55 .2.4E6
50 2.2E6
45 .1.9BÍ
4 0. . 1 . 'i t- 6
125
35 l.SK
30. 1.3E6
25. .1.1E6
20. .1.1*5
ï
1 62 0
15. 6.5E5
69 ns 2 4
10.
1 T'fv "Mee 4.3E5
il
β 3
Ι ,
5. .2.2«
* iii lic lío ííoiâo 00 ^ 240 260 :βυ 30U 320 340 360 360 400 420 440 460 4¿0 5' U
Ü.ÜÍ0
»fi
41 17.5 70 5.4
43 21.0 71 9.0
55 19.7 83 7.8
56 6.5 85 5.0
57 17.3 94 100.0
65 5.3 95 9.7
69 12.5 97 5.9
Inletsystem Flow injection particle beam
Scan Range 40-1000
PMn°
34240
)(ΞΖ) Name
ALKYL (C,o-C2o) SULPHONIC ESTER WITH PHENOLS
)
Solvent
SF
SI
CDCLj
250.13
16384
SW 3125
NS 32
Λ
Ì.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
44
Azelaic acid, bis(2-ethylhexyl) ester
Ç2H5 C,Ho
C4H9—CH—CH2—O—C-fcH2)— C — O — C H 2 — C H — C 4 H 9
CAS No. 00103-24-2

PM Ref. No. 36320
Restrictions SML = 3.0 mg/kg
Formula C25H4g04
Alternative names Nonanedioic acid, di(2-ethylhexyl) ester,

Di(2-ethylhexyl) azelate
Physical Characteristics Colourless liquid, mp -78°C,

bp 208 - 210°C (4 mm Hg).
Soluble in alcohol, acetone, benzene.

Safety

Applications PVC, PVDC, inks.

100.000
80 000 _
60.000
™ 40.000
20.000 _
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.
cm
Name : AZELAIC ACID, BIS(2-ETHYLHEXYL) ESTER
PM Nr : 36320 CAS Nr : 00103-24-2

KBr pellet
-ρ-
46
CAS No. 00103-24-2 PM Ref. No. 36320
AZELAIC ACID, BIS(2-ETHYLHEXYL) ESTER

410.9 73.4 28.4
437.9 66.9 35.3
729.2 66.6 35.7
773.6 70.2 31.8
962.6 70.1 31.9
1010.8 62.8 39.7
1093.8 61.4 41.2
1174.8 18.7 86.8
1228.8 32.9 71.6
1360.0 53.3 49.9
1381.2 45.8 57.8
1421.7 59.7 43.1
1464.2 30.4 74.3
1738.1 6.4 99.9
1863.5 75.7 26.0
2860.8 17.9 87.6
2932.2 6.3 100.0
3738.5 75.8 25.8
47
Azelaic acid, bis(2-ethylhexyl) ester
171
60
57
112
I
152 283
I .
WJU Í-^
207 241 265
I I ..i
100 200 300 400
41 22.3 84 10.5
43 29.1 112 29.9
55 31.4 113 11.1
56 11.3 152 9.7
57 53.8 171 100.0
70 33.9 172 9.1
71 34.1 283 9.7
83 18.3 301 5.0

Scan Range 25-500
oo
( PMn° ^ Γ CAS n° "| Name

^ 36320 J [ 00103-24-2 AZELAIC ACID, BIS(2-ETHYLHEXYL) ESTER Solvent CDCL3
) SF 250.13
SI 16384
SW 3125
NS 32
JL w L~.
(ppm)
49
Azelaic acid, bis(6-methylheptyl) ester
CH 3 O O CH 3
1
/ A_ " / l'I / N '
CH 3 —CH-^CH 2 j-0—C-^CH 2 )-C—0-^CH 2 )-CH—CH 3
5 7 J
CAS No. 00106-03-6

PM Ref. No. 36400
Restrictions SML = 3.0mg/kg
Formula C25H4804
Alternative names Di(6-methylheptyl) azelate, Dioctyl azelate,

Nonanedioic acid, di(ó-methylheptyl) ester
Physical Characteristics Colourless liquid.

Soluble in alcohol, acetone, benzene.

Safety

Applications - PVC, PVDC.
GC Retention time - Cluster 48.8- 51.5 min.
Note Contains other octyl isomers.

O
105.000
84.000
63.000
ro 42.000
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 40
£m'
Name : AZELAIC ACID, BIS(6-METHYLHEPTYL) ESTER
PM Nr : 36400 CAS Nr : 00106-03-6

KBr pellet
51
CAS No. 00106-03-6 PM Ref. No. 36400
AZELAIC ACID, BIS(6-METHYLHEPTYL) ESTER

414.8 76.2 25.6
426.3 92.1 8.5
451.4 90.1 10.6
727.3 89.8 11.0
993.5 86.1 15.0
1093.8 68.8 33.5
1172.9 17.5 88.7
1246.2 34.0 70.9
1365.8 50.5 53.2
1381.2 49.9 53.9
1421.7 68.6 33.8
1464.2 34.9 69.9
1738.1 6.9 100.0
2872.4 22.2 83.6
2930.2 7.0 99.9
3337.3 87.5 13.4
3391.3 81.3 20.1
52
Azelaic acid, bis(6-methylheptyl) ester
ΤΤΪΙΓ
l.SEC
1.4E«
1.3SC
1.3E6
1.2E6
1.1EÍ
l.OEC
.9.5E5
-JE5
.7. 9E5
7.1E5
.6.3E5
.5.5E5
4.1E5
3.9E5
3.2E5
2.4E5
Li.615
Γ2'. .7.9E4
i\- >liiJ,,Ji..,iiiJ,„.,,l I l . , , . ι , ........,!,. ι , . Ι . , Ι . , ι , Ι . . , . , . . . . . . . ι · , . ,·.

100 120 1Í0 160 ΐ4θ 2¿0 2¿0 240 260 2^0 3¿0 3¿0 340 sfco 3¿0
41 1 00.0 84 23.3
42 81.0 97 13.5
43 34.4 111 6.1
55 33.7 112 16.6
56 21.5 113 10.4
57 57.7 129 6.7
69 41.1 152 8.6
70 19.6 171 34.4
71 35.6 185 11.7
83 20.2 283 17.8
Scan Range 40-1000
f PM n° ^ ( CAS n° "| Name
l 36400 J ^ 00106-03-6 AZELAIC ACID, BIS(6-METHYLHEPTYL) ESTER Solvent CDCLj
) SF 250.13
SI 16384
sw 3125
NS 32
I ι ι ι ι ι ι ι ι ι ι I I 1 I I I I I I I I I I I
I
(ppm)
LO
54
2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
N J? Cert. Butyl
t e r t . Butyl
[I
CAS No. - 07128-64-5

PM Ref. No. - 38560
Formula - C26H26N202S
Alternative names - 2,2'-(2,5-Thiophenediyl)bis(5-tert-butyl

benzoxazole)
Physical Characteristics - Yellow powder, mp 196 - 203°C.

- Soluble in acetone, toluene.
Handlins - Store at room temperature.

Safety -
Current uses - UV-stabilizer, optical brightner.


105.000
91.000 _
77.000 _
¡5 63.000
49.000
35.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"'
Name : 2,5-BIS(5-TERT-BUTYL-2-BENZOXAZOLYL)THIOPHENE
PM Nr : 38560 CAS Nr : 07128-64-5

K B r pellet
L/l
56
CAS No. 07128-64-5 PM Ref. No. 38560
2,5-BIS(5-tert-BUTYL-2-BENZOXAZOLYL)THIOPHENE

418,6 72,5 45,1
459,1 89,9 16,6
501,6 92,1 13,0
522,8 93,4 10,8
648,2 73,9 42,8
677,1 91,7 13,6
715,7 52,0 78,7
756,2 92,9 11,6
808,3 38,9 100,0
835,3 80,8 31,5
877,7 70,5 48,4
906,7 82,4 28,9
918,2 89,1 17,9
931,7 84,8 24,9
999,3 77,0 37,7
1026,3 44,9 90,4
1122,7 83,5 27,1
1196,0 57,0 70,5
1221,1 75,4 40,3
1253,9 60,4 64,9
1265,5 53,4 76,4
1307,9 80,9 31,3
1334,9 70,1 49,0
1348,4 59,7 66,1
1363,8 71,7 46,4
1392,8 86,4 22,3
1425,6 75,0 41,0
1446,8 72,4 45,3
1464,2 71,4 46,9
1477,7 56,7 71,0
1504,7 62,4 61,7
1579,9 46,2 88,2
1612,7 15,0 139,4
2866,6 74,4 42,0
2901,3 72,2 45,6
2955,3 54,3 74,9
57
2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
43_0_
415
I
60
105 200
133 172
207
I
ι οχ
186 267
89 166 239 284 331 359 387
I I 358
jM ■ 1
M+l i I I , i liti
300
41 10.1 267 9.8

77 17.4 415 66.3
79 11.5 416 16.5
103 11.3 417 5.2
105 30.9 430 100.0
133 22.3 431 27.6
172 22.2 432 7.5
186 9.6 433 1.5
200 31.1

Scan Range 40-500
00
PMn° ^1 Γ CAS n° ^ Name s·

38560 I [ 07128-64-5 2,5-BIS(5-tert-BUTYL-2-BENZOXAZOLYL)THIOPHENE CDClj
Solvent
) SF 250.13
SI 16384
sw
NS
3125
20
4
—Γ Π Ί Ί I l| I II ■ I 'I I ι ι I I Τ I
o
(ppm)
59
N,N'-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl) hydrazide
tert. Butyl
HO CH 2 —CH 2 —C—NH-
ter t. Butyl
CAS No. - 32687-78-8

PM Ref. No. - 38800
Restrictions - SML = 15 mg/kg
Formula - C34H52N204
Alternative names - 1,2-Bis(3,5-di-tert-butyl-4-hydroxy-hydro-

cinnamoyl)-hydrazine
Physical Characteristics - White powder, mp 225 - 227°C.

- Soluble in most organic solvents.

Safety - Harmful.

Applications - Polyolefins, styrene co-polymers, polyacetals.

ON
o
105 300
rtfiáff
lyWUhK^ ,^VrW-\ ,.A^^WWVVV^1A^WS«/VV./W/ X
92 300 1 /ι
ft I
79 TOO
í¡ 66 300
53 300
40 300
—τ τ —τ
4000 00 3230 00 2560 OC 'H¿0.GO 120.00 400 0
cm
Name :N, Ν'- BIS(3- (3,5-DI-Tert-BUTYL-4-HYDROXYPHENYL) PROPIONYL) HYD RAZID E
PM Nr : 38800 CAS Nr : 32687-78-8

K B r pellet
61
CAS No. 32687-78-8 PM Ref. No. 38800
N,N'-BIS(3-(3,5-DI-tert-BUTYL-4-
HYDROXYPHENYL)PROPIONYL)HYDRAZIDE
420,5 65,0 61,6
569,1 88,2 20,8
615,4 89,2 19,0
665,5 89,8 17,9
708,0 83,7 28,7
769,7 83,5 29,0
877,7 79,4 36,2
918,2 90,9 16,0
993,5 86,2 24,3
1122,7 70,7 51,5
1147,8 61,9 67,0
1180,6 80,5 34,3
1205,7 74,2 45,4
1232,7 50,4 87,2
1275,1 84,4 27,4
1319,5 71,7 49,8
1360,0 70,0 52,8
1388,9 88,8 19,7
1414,0 86,8 23,2
1435,2 46,3 94,5
1485,4 59,0 72,1
1551,0 84,4 27,4
1612,7 84,3 27,6
1664,8 50,0 88,0
1676,3 43,1 100,0
2920,6 63,4 64,4
2961,1 45,4 96,0
3238,9 57,2 75,3
3618,9 53,0 82,7
3644,0 81,0 33,4
62
N,N'-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl) hydrazide
1.417
1.311
1.211
.1,211
.1.1*7
.1.017
.1.616
.9.DIS
-8.3E6
7. »C
G. » 6
c. zie
5 . SES
4.BKG
4 . 1E6
.3.416
.2.816
.2.116
.1.416
ν «■ 6.915
.,,„.14,lui t..L.i,l,.
350 400
450
450
5¿o'
!
5¿1
o.o εο
55 54.6 213 42.9

57 98.8 219 100.0
69 32.5 220 31.9
91 37.4 224 76.7
101 28.8 259 60.1
119 31.3 277 30.7
147 82.8 496 15.9
161 30.1 534 21.1
188 66.9 552 15.3
203 75.5 553 5.8
Scan Range 40-1000
3
PMn° ^ ( CAS n° Λ Name
38800 [ 32687-78-8 N,N'-BIS(3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL) Solvent CDCL3
PROPIONYL) HYDRAZIDE SF 250.13
SI 16384
sw 3125
NS 24
^\_
l'i ι I I I I I I I ι ι ι ι I I I t I
(ppm)
ON
64
Bis(2,4ditertbutylphenyI)pentaerythritol diphosphite
ρ—o
tert. Butyl 0 cere. Butyl
CH2
tert. B u t y l — ( C ) ) — O — C H 2 — C — C H 2 — 0 — ( Ç j ) — t e r t . Butyl
CH2
i
Ρ—0
h
0
CAS No. - 26741-53-7

PM Ref. No. - 38820
Formula - C33H50OgP2
Alternative names -
Physical Characteristics - White powder, mp 160 - 175°

- Soluble in toluene, acetone, di

Safety - Irritant.
Availability - Standard sample was supplied
Current uses - Stabilizer.

Applications - PET, PC, PVC, polyolefins.

105.000
84.000
63.000
42.000
21.000
0.000
4000.00 3280.00 2560.00
Name :BIS(2,4-DI-TERT-BUTYLPHENYL)PENTAERYTHRITOL DIPHOSPHITE
PM Nr : 38820 CAS Nr : 26741-53-7

K B r pellet
ON
66
CAS No. 26741-53-7 PM Ref. No. 38820
BIS(2,4-DI-TERT-BUTYLPHENYL)PENTAERYTHRITOL
DIPHOSPHITE
Peakwavenumber %T Relative intensity

418.6 47.9 58.2
482.3 88.3 13.1
499.6 76.1 26.7
580.6 77.8 24.8
644.3 75.9 26.9
663.6 70.0 33.5
677.1 73.7 29.4
694.5 44.3 62.2
735.0 21.9 87.3
767.8 26.9 81.6
779.3 37.4 70.0
796.7 73.5 29.6
823.7 53.0 52.5
856.5 20.5 88.8
889.3 83.5 18.4
910.5 52.2 53.4
968.4 73.4 29.7
1016.6 10.48 100.0
1068.7 66.00 38.0
1088.0 45.14 61.3
1145.9 31.21 76.8
1192.2 36.99 70.4
1226.9 20.98 88.3
1273.2 72.21 31.0
1361.9 50.75 55.0
1387.0 78.32 24.2
1402.4 68.42 35.3
1460.3 61.33 43.2
1495.0 27.09 81.4
1605.0 90.55 10.6
2868.5 52.48 53.1
2930.2 41.48 65.4
2957.2 20.55 88.7
3404.8 88.05 13.4
67
Bis(2,4-di-tert-butylpheny Opentaery thritol diphosphite
159 191 237 589

I ! 295 335 369 441 Ί
I
«fU v-X e'i-H I I I
400
' I '
500 600
41 16.2 191 6.7

53 14.1 215 11.4
55 11.4 237 5.4
57 100.0 279 34.6
83 15.6 287 37.7
91 4.8 399 9.4
117 37.5 589 4.9
147 22.8 604 21.8
159 5.3 605 7.4

Scan Range 40-700
OS
00
PMn°
38820
CASn°
26741-53-7
D Name:
BIS (2,4-DI-TERT-BUTYLPHENYL)
PENTAERYTHRITOL D IPHOSPHITE
Solvent
SF
SI
CDCL3 |
250.13
16384
SW 3125
NS
2
)
ï Τ I I I
0
(ppm)
69
Bis (4-ethyIbenzylidene) sorbitol
O
CH¡—CH —CH—CH—CH—CHj—OH
CAS No. - 79072-96-1

PM Ref. No. - 38950
Restrictions - None
Formula - C24H30O6
Alternative names

Safety
Current uses - Nucleating agent.

Applications - PP.
GC Retention time
-J
o
105.000
86.000
67.000
48.000
29.000
10.000
4000.00 3280.00
Name : BIS(4-ETHYLBENZYLIDENE)SORBITOL
PM Nr : 38950 CAS Nr : 79072-96-1

KBr pellet
71
CAS No. 79072-96-1 PM Ref. No. 38950
BIS(4-ETHYLBENZYLIDENE)SORBITOL

4148 91.0 10.3
451.4 95.0 6.1
466.8 93.4 8.0
430.5 86.1 17.0
551.7 83.4 20.2
563.3 65.3 42.3
513.4 63.9 44.0
661.7 72.0 34.1
721.5 75.7 29.6
758.1 75.4 30.0
783.2 64.6 43.2
835.3 31.5 83.5
883.5 75.2 30.2
900.9 89.5 12.8
945.2 70.7 35.7
980.0 42.8 69.8
1016.8 18.0 100.0
1045.6 51.5 59,1
1049.1 41.3 71.6
1068.7 37.5 76.2
1099.6 13.0 106.1
1134.3 56.9 52.6
1169.0 45.5 66.5
1225.0 63.9 44.0
1246.2 81.2 22.9
1263.5 70.4 36.1
1311.8 63.1 45.0
1329.1 49.8 61.2
1342.6 34.6 79.8
1371.6 48.2 63.2
1400.5 33.0 81.7
1421.7 43.1 69.4
1458.4 49.8 61.2
1418.2 71.6 34.6
1618.5 82.9 20.9
1701.4 90.6 11.5
2870.4 46.9 64.8
2932.2 47.0 64.6
2959.2 32.7 82.1
3030.5 72.1 34.0
3063.3 71.9 34.3
3225.4 31.4 83.7
3590.0 90.9 11.1
72
Bis(4-ethylbenzylidene) sorbitol
25 50 75 1
JÜJLkífÜhí
200 225 250 275
309 324
300
325
y*K ias , Y
375 400
,..428 461 ,
425 450 475
' 502 5 3 0
5θΤ S Í
^ 5 3 2 54B
550 " 5
79 22.5 150 7.1

81 8.4 151 8.1
91 12.9 177 52.5
105 20.0 206 7.5
119 55.7 220 23.5
129 14.7 232 10.4
133 100.0 237 10.4
134 49.1 353 16.7
135 73.6 414 22.2
136 6.6 415 18.4
Inletsystem Probe inlet
Source Temperature 350-400°C
Scan Range 25-1000
]
-s
PMn° I f CAS n° ^ Name
38950 v 79072-96-1 BIS(4-ETHYLBENZYLIDENE)SORBITOL Solvent DMSO-d6
SF 250.13
SI 16384
SW 3125
NS 32
74
N,N-Bis(2-hydroxyethyl)alkyl(C8-C,8)amine
CH?—CH?—OH
/
R—N
\
CH 2 —CH 2 —OH
CAS No. 71786-60-2

PM Ref. No. 39090
Restrictions SML = 1.2 mg/kg as free amine
Formula
Molecular weight
Alternative names
Physical Characteristics - Slightly yellow liquid, mp -2°

- Soluble in acetone, hexane.

Safety - Strongly alkaline.
Current uses - Antistatic agent.

Applications - PS, PVC, PE, PP.
GC Retention time -
105.000
84.U00 _
63.000
42.000 _
21 .000
0.000
4000.00 3280.00
Name : N,N-BIS(2-HYDROXYETHYL)ALKYL(C8-C18)AMINE
PM Nr : 39090 CAS Nr : 71786-60-2

KBr pellet
IVI
76
CAS No. 71786-60-2 PM Ref. No. 39090
N,N-BIS(2-HYDROXYETHYL)ALKYL(C8-C18AMINE)

414.8 93.2 7.4
437.9 93.9 6.6
451.4 94.9 5.5
534.4 94.9 5.5
559.8 94.6 5.9
559.4 94.0 6.5
723.4 62.7 40.4
779.3 46.4 58.1
1045.6 44.7 59.9
1155.5 81.5 20.0
1240.4 84.1 17.2
1288.6 80.7 20.9
1377.3 70.2 32.3
1468.0 49.9 54.3
2735.4 88.2 12.8
2855.0 18.7 88.1
2924.4 7.7 100.0
3345.0 51.0 53.1
77
N,N-Bis(2-hydroxyemyl)alkyl(C8-Q8)amine
M 2 370 424
41 8.0 255 24.7

43 100.0 256 65.3
49 12.0 284 29.3
74 15.3 285 6.0
88 31.3 288 23.3
118 100.0
Scan Range 40-1000
]
PMn° I ( CAS n" ^ Name Solvent CDCL3
39090 J ^ 71786-60-2 N,N-BIS(2-HYDROXYETHYL)ALKYL(Cj-Ci8)AMINE SF 250.13
SI 16384
SW 6494
J
NS 24
8.5 7.5 7.0 4.5 4.0 3.5 3.0 2.5 0.5

(ppm)
79
N,N-Bis(2-hydroxyethyI)lauramide
O CH?—CH; -OH
I /
C11H23 -N
\
CH?—CH; -OH
CAS No. 00120-40-1

PM Ref. No. 39280
Restrictions None
Formula C16H33N03
Alternative names Lauryl diethanolamide
Physical Characteristics Colourless viscous liquid, mp 39°C.

Soluble in alcohol, methanol, ether.

Safety
Current uses Antistatic agent.

Applications General use.
GC Retention time Degradation product

Laurie acid 28.8 min.
oc
O
105.000
B4.000 _
63.000
¡5 42.000
21.000
0.000
4000.00 3280.00 2560.00 1840.00
Name : N,N-BIS(2-HYDROXYETHYL) LAURAMIDE
PM Nr : 39280 CAS Nr : 00120-40-1

K B r pellet
CAS No. 00120-40-1 PM Ref. No. 39280
N,N-BIS(2-HYDROXYETHYL)LAURAMIDE

410.9 88.5 11.6
428.3 86.2 14.0
457.2 87.1 13.0
486.1 90.7 9.4
513.1 85.4 14.8
538.2 89.4 10.7
598.0 89.4 10.7
619.2 86.7 13.4
644.3 89.7 10.4
723.4 84.5 15.6
862.3 83.0 17.1
920.2 89.5 10.6
943.3 86.5 13.6
1053.3 22.0 78.8
1163.2 86.1 14.1
1213.4 69.8 30.5
1296.3 60.6 39.8
1369.6 45.85 54.8
1427.5 28.42 72.4
1468.0 20.54 80.3
1566.4 39.24 61.4
1622.3 14.25 86.7
2513.6 82.54 17.7
2687.2 66.60 33.8
2853.1 5.52 95.5
2924.4 1.11 100.0
3090.3 39.16 61.5
3115.4 35.93 64.8
3275.5 14.74 86.2
82
N, N-Bis(2-hydroxyethyl)lauramide
look 1 ■ .5.64 ■ l i t i
«
»S l.OKk
so. .J.SKS
15. Β.Sti
IO. Β.«ES
75 7 . SES
IO. FM192B0 7.4L5
65. .«.•ES
bli Í.3K5
5S_ .S.BKS
50. .5.3E5
45 4.7Kb
(0. 4.2BS
35 14 3.7L5
30. .3.2ES
25 .2.6E5
IO. 2.1L5
39
1
15. C .1.IE5
U
2
10, 2<4 ? 6 26· .1.185
1
as
j
' ' j ' I " 112
1
LJIJ ir JA41LLJU|IUL4
llu 1(0 léO 200 îiu 240 ϊέί) lio 3Ò0 320 MU 3¿0 UBO 400 »/■
βο 1
41 21.0 99 17.8
43 22.7 112 12.6
55 15.8 114 100.0
57 14.0 115 6.5
69 6.3 126 6.2
70 11.7 129 8.2
85 7.1 142 7.5
Scan Range 40-1000
83
Laurie acid
55
I
129
I
87 115
I I
101
111
102 I 124
I
U4
75 125 150
41 84.1 73 96.6
42 18.9 83 14.5
43 87.4 85 23.0
55 59.9 87 15.0
56 14.6 97 9.3
57 51.8 101 11.9
60 1 00.0 115 15.24
61 16.6 129 33.1
69 28.0 157 18.0
71 25.2 200 10.0

Scan Range 40-500
OD
f PMn" "I
^ 39280 J
Í CASn°
[ 00120-40-1
"|
·
Name:
Ν,Ν-BIS (2-HYDROXYETHYL) LAURAMTD E
D Solvent
SF
SI
CDCL3
250.13
16384
SW 3125
NS 32
τ τ τ τ ~ τ r ι τ ι ι r ι r ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι'ι ι |' Γ r i ι~
(ppm)
85
2,4-Bis(octylmercapto) -6-(4-hydroxy-3,5-di-tert-butylanilino) -1,3,5-t riazine
CAS No. - 00991-84-4

PM Ref. No. - 40000
Formula - C33H56N4OS2
Alternative names - Phenol, 4-((4,6-bis(octylthio)-l,3,5-triazin-

2-yl)amino)-2,6-bis(l, 1-di-methylethyl)-
Physical Characteristics - White to light yellow crystalline powder,

mp 91 - 96°C.
- Soluble in benzene, acetone, hexane.

Handling
Safety - Store at room temperature.
Availability
- Standard sample was supplied.
Current uses
Applications - Antioxidant.
- Styrene co-polymers, PP, rubber.
oo
ON
105 000
84 900
63 000
¡5 42 DOO
21 000 _
0 000 _
4000 00 3280 00 2560 00 1840.00 1120.00 400 0
Name:2,4-BIS(OCTYLMERCAPTO)-6-(4-HYDROXY-3,5-DI-Tert-BUTYLANILINO)-l,3,5-TRIAZlNE
PM Nr : 40000 CAS Nr : 00991-84-4

KBr pellet
87
CAS No. 00991-84-4 PM Ref. No. 40000
2,4-BIS(OCTYLMERCAPTO)-6-(4- HYDROXY-3,5-DI-tert-
BUTYLANILINO)-1,3,5 -TRIAZINE
414,8 82,8 18,6
457,2 89,9 10,9
478,4 92,4 8,2
505,4 93,2 7,4
530,5 94,3 6,2
542,1 89,0 11,9
609,6 72,4 29,9
688,7 88,5 12,5
733,0 72,1 30,2
765,8 68,7 33,9
798,6 66,0 36,9
860,4 68,1 34,6
875,8 72,0 30,4
1043,6 52,7 51,3
1116,9 73,5 28,7
1145,9 50,5 53,7
1184,4 50,8 53,3
1201,8 62,5 40,7
1230,7 37,5 67,8
1253,9 23,4 83,0
1279,0 28,4 77,6
1311,8 70,9 31,5
1377,3 19,2 87,6
1406,3 53,7 50,2
1439,1 25,1 81,2
1477,7 36,8 68,5
1493,1 22,5 84,0
1524,0 7,7 100,0
1570,3 25,4 80,9
1606,9 46,9 57,6
2764,3 91,1 9,6
2853,1 37,5 67,8
2924,4 21,0 85,6
2955,3 27,9 78,2
3107,7 63,5 39,6
3155,9 79,7 22,0
3200,3 77,8 24,1
3246,6 61,6 41,6
3628,5 59,0 44,4
88
2,4-Bis(octylmercapto)-6-(4-hydroxy-3,5-di-tert-butylanilino)-l,3,5-triazine
1.ΗΊ
1.717
1.CE7
1.517
.l.«7
.1.3*1
.1.2*7
.1.217
.1,1*7
.LUS
.Í.9E6
.a. OES
.7. IES
.C.2EI
.5.3X6
J.4BI
2«9 3 <
.3.6EÍ
.2. TEC
.l.BEE
ilitlliiliLiii iii
250 300 350 400 450
U Λ
500 550 60θ' ' Bio' ' 70θ'
.B. 9E5
O.OEO
41 62.6 273 79.8

43 1100.0 289 22.1
55 49.1 364 22.7
56 29.4 476 48.5
57 79.8 477 20.9
69 29.4 531 17.8
70 20.2 541 26.4
71 19.6 588 92.0
83 17.2 589 79.8
231 20.2 590 46.0
Scan Range 40-1000
Γ PM η° ^ ί CAS η° ^ Name
[ 40000 ! [ 00991-84-4 2,4-BlS(OCTYLMERCAPTO)-6-(4-HYDROXY- Solvent CDCL3
3,5-DI-TERT-BUTYLANILINO)-l,3,5-TRIAZINE SF 250.13
SI 16384
SW 3125
NS 16
4 VJ
ι Ι ι ι ι ι ι ι ι ι ι Ι I I 1 ι ι ι ι ι ι Ι ι ι 'I I I I 1 ι ι ι ι Ι I
2 1
Cppm)
90
2,4-Bis(octylthiomethyl)-6-methylphenol
CH3
CgH^7 S CH OH
C H 2 — S — C ñ8Hr t 1 7
CAS No. 110553-27-0

PM Ref. No. 40020
Formula Q5H44OS2
Alternative names - 2,4-Bis((octylthio)methyl)-o-cresol
Physical Characteristics Pale yellow liquid, mp approx. 14°C,

bp > 178°C (0.08 mm Hg).
Soluble in most organic solvents.

Safety
Current uses Antioxidant.

Applications Styrene co-polymers, paraffin waxes, coatings.
GC Retention time
105 300
8* 300 -
63 300
% 42 DOO
21 DOO μ.
D DOO
4000 00 3280.00
Name:2.4-BIS(OCTYLTHIOMETHYL)-6-METHYLPHENOL
PM Nr:40020 CAS Nr: 110553-27-0

KBr pellet
92
CAS No. 1105532-27-0 PM Ref. No. 40020
2,4-BIS(OCTYLTHIOMETHYL)-6-METHYLPHENOL

414,8 89,7 10,9
436,0 92,4 8,0
447,5 95,0 5,3
476,5 89,2 11,4
515,1 86,7 14,0
723,4 76,0 25,3
748,5 76,5 24,8
879,7 83,6 17,3
974,2 89,7 10,9
1020,5 79,1 22,0
1153,6 69,5 32,2
1217,2 41,4 61,8
1286,7 64,4 37,6
1304,0 66,6 35,2
1350,3 74,3 27,1
1377,3 72,6 28,9
1468,0 42,6 60,6
1483,4 30,4 73,4
2855,0 16,1 88,5
2926,4 5,2 100,0
3308,3 64,6 37,3
93
2,4-Bis(octylthiomethyl)-6-methylphenol
look 3 9 pn4002< 1.7*1

135
95. 1.6*7
14
90_ 5. 1.6*7
85. 1.5*7
80. 146 1.4*7
75. 91 1.3*7
70. .1.2*7
65J 1 .2 .1.1*7
60. .1.0*7
55. .9.5E6
50. -8.6E6
45. .7.SES
4 0. -6.9E6
1> 5 -6.0E6
35.
121
30. -5.2E6
42 4
25: .4.3*6
20. .3.4BG
15. il .2.£E6
ìoJ 1 1.7E6
5
4HJH|BL La.6*5
'0.0E0
■Tt'ff+1-ι-γΊΗτ
40 60 SO 100 120 140 le ISO 20O 2 0 2 4 0 2 6 0 2 0 ' 30O 320 340 3 0 380 400 42 ' 4 4 0 ' 460 ' 4ÍÕ ' 5 0 β/ι
41 92.0 112 64.4

43 99.8 133 82.8
47 66.9 134 96.3
55 89.0 135 98.8
56 99.4 136 72.4
57 82.8 146 79.8
69 77.3 279 100.0
70 91.4 280 73.6
83 83.4 424 27.7
91 74.8 425 8.5
Scan Range 40-1000
•ρ.
Γ ΡΜη° "Ι ( CASη° "| Name s·

^ 40020 J ^ 110553-27-0 J 2,4-BIS (OCTYLTHIOMETHYL)-6-METHYLPHENOL
J Solvent
SF
CDCL3
250.13 I
ì
SI 16384 I
SW 3125 I
42
NS
J
M l I I I I
7 4
Τ "
0
(ppm)
95
Bisphenol A
CH3
CAS No. 00080-05-7

PM Ref. No. 40060
Formula C
I5H16°2
Alternative names - 2,2 Bis(4-hydroxyphenyl) propane
Physical Characteristics Coarse powder, mp 150 - 155°C,

bp 250 - 252°C (13 mm Hg).

Safety Irritant.
Current uses PVC, PC, epoxy phenolic coatings.

Applications Monomer, stabilizer.

VC
σν
105.000
93.000
81.000
« 69.000 _
57.000
45.000
4000.00 3280.00 2560 00 1840.00 1120.00 400.0

cm'1
Name : BISPHENOL A
PM Nr : 40060 CAS Nr : 00080-05-7

KBr pellet
97
CAS No. 00080-05-7 PM Ref. No. 40060
BISPHENOL A

430.2 94.4 11.4
439.8 94.9 10.5
551.7 76.5 48.0
565.2 80.3 40.2
827.6 57.3 87.5
1113.1 88.3 24.1
1147.8 85.5 29.6
1176.7 63.2 75.4
1219.2 57.9 86.3
1294.4 80.5 40.0
1361.9 78.4 44.2
1435.2 76.2 48.8
1446.8 73.5 54.3
1510.5 51.2 100.0
1599.2 72.1 57.2
1612.7 74.5 52.2
2932.2 87.5 25.7
2965.0 76.55 48.0
3235.0 73.00 55.3
3318.0 66.18 69.2
98
Bisphenol A
100
40
91
41 135 152 165

!¡3 51 63. 75 79 128 141
I 181 197
.Ml 1 1 . . r
" Ι ι
150 200
41 6.7 115 8.6

43 2.0 119 28.6
51 5.0 135 6.1
53 3.6 165 8.9
55 4.3 213 100.0
65 16.4 214 13.2
77 11.9 228 28.2
91 24.8 229 4.8
107 12.2

Scan Range 40-500
Γ PM η° "Ι
[ 40060 J
f CAS n°
[ 00080-05-7
^
I:
Name
BISPHENOL A
D Solvent
SF
SI
CDCb
250.13
8192
sw 2380
NS 32
I 1 1 Γ Γ - Γ Τ Τ Τ ΓΊ
a
t I I Tt
υ.
r ι ι ι Ι Ι 1 Ι 1 ι
7
ι ι ι ι t
6
"ΤΤ-Ι-ΓΊ
b
ι ι ι ι ι ι ι ι Ι 1 1 Ι Ι 1 ι ι ι ι
4 5 2
rl
1 ι ι ' ' ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι I I I 1
1 0
(ppm)
VD
VO
100
tert-Butyl-4-hydroxyanisole
CH3
I
o
-tert. Butyl
OH
CAS No. - 25013-16-5

PM Ref. No. - 40720
Restrictions - SML = 3.0mg/kg
Formula - CnH1602
Alternative names - Butylated hydroxyanisole (BHA)
Physical Characteristics - Slightly yellow flakes, mp 48 - 55 °C,

bp 264 - 270°C (733 mm Hg).

Safety - Harmful.
Availability - Standard sample supplied.

Note - Mixture of 2-(main) and 3-(minor) isomers.

105.000
84.000 _
63.000 _
m 42.000
21.000
0.000
4000.00 3280.00 2560.00
Name : TERT-BUTYL-4-HYDROXYANISOLE (=BHA)
PM Nr : 40720 CAS Nr : 25013-16-5

K B r pellet
102
CAS No. 25013-16-5 PM Ref. No. 40720
tert-BUTYL-4-HYDROXYANISOLE (BHA)

420,5 70,5 30,7
491,9 50,5 51,6
582,6 75,1 25,9
615,4 86,3 14,3
682,9 58,1 43,7
773,6 23,5 79,7
816,0 20,1 83,3
856,5 32,8 70,0
914,4 41,3 61,2
929,8 77,3 23,7
1020,5 23,9 79,3
1034,0 16,7 86,8
1074,5 46,5 55,7
1136,2 38,5 64,1
1199,9 4,0 100,0
1226,9 11,2 92,5
1252,0 29,5 73,5
1280,9 26,8 76,3
1346,5 34,0 68,8
1358,1 33,2 69,6
1365,8 25,8 77,3
1392,8 35,5 67,2
1415,9 10,4 93,4
1452,6 27,2 75,9
1469,9 16,6 86,9
1487,3 31,0 71,9
1508,5 10,0 93,8
1632,0 80,5 20,3
1713,0 54,6 47,3
1851,9 77,8 23,1
2050,6 84,1 16,6
2453,8 89,2 11,3
2542,5 88,1 12,4
2698,7 87,0 13,5
2775,9 89,9 10,5
2841,5 47,6 54,6
2866,6 33,4 69,4
2914,8 27,0 76,1
2953,4 14,4 89,2
3003,5 31,5 71,4
3030,5 66,4 35,0
3130,9 88,8 11,7
3391,3 9,9 93,9
103
tert-Butyl-4-hydroxyanisole
165
80
77 91
I
79 166
41 53 65 94 107 115 124 138 150
I
I Ί3 55 131 147
ι
li. IILVL ill
53 6.6 124 7.6

65 5.9 137 77.8
77 18.0 138 8.8
79 9.4 165 100.0
91 19.2 166 11.3
105 7.3 180 44.7
107 7.7 181 5.0
115 8.5

Scan Range 40-500
0
ίΡΜη"! ( CAS η° ^ Name s-

^ 40720 J ^ 25013-16-5 J tert-BUTYL-4-HYDROXYANISOLE (=BHA) CDCI3 i
) Solvent
SF 250.13 1
SI 16384 1
SW 3125
NS
J
(ppm)
105
Citric acid, triethyl ester
0
i|
0 CH2—C—O—C2H5
C2H5—O—C—C—OH
CH2—C—0—C2H5
h
0
CAS No. - 00077-93-0

PM Ref. No. - 44640
Restrictions - None
Formula - Ci2H20U7
Alternative names - Triethyl citrate
Physical Characteristics - Slightly yellow liquid, mp 7

bp 287°C decomposes.
- Soluble in alcohol, ether, chloroform.

Handling
Availability
Current uses
Applications - Plasticizer.
- PVC, PVDC, CA, paper, inks, epoxy polymers.
o
105.000
84.000 _
63.000
ra 42.000
21.000 _
0.000
4000 00 3280.00 2560.00 1840.00 1120.00 400.
Name : CITRIC ACID, TRIETHYL ESTER
PM Nr : 44640 CAS Nr : 0007-93-0

KBr pellet
107
CAS No. 00077-93-0 PM Ref. No. 44640
CITRIC ACID, TRIETHYL ESTER

611.5 86.8 13.6
787.1 83.8 16.6
862.3 72.1 28.7
933.7 88.6 11.7
1026.3 14.1 88.3
1076.4 47.4 54.1
1097.6 31.2 70.8
1115.0 27.4 74.7
1192.2 2.7 100.0
1300.2 21.9 80.3
1371.6 19.6 82.6
1446.8 46.3 55.2
1468.0 48.3 53.2
1741.9 3.6 99.2
2909.0 68.6 32.3
2941.8 57.1 44.1
2986.2 32.3 69.6
3497.4 58.0 43.2
108
Citric acid, triethyl ester
80
60
203
I
43
87 111
69 ι —
45 167 213 231
I 102 I I I
iM' , Ή jj 1
I ' '
100 ISO
200
27 5.6 115 33.9

29 32.0 129 6.3
42 5.9 130 3.3
43 21.6 139 3.2
56 3.1 157 100.0
60 3.2 158 7.9
69 4.0 203 23.6
84 3.1 204 2.1
87 6.4 213 1.6
111 5.6 231 0.4

Scan Range 25-500
f PM n° "I f CAS n° ^ Name
[ 44640 J I 00077-93-0 J CITRIC ACID, TRIETHYL ESTER Solvent CDCL3
)
(ppm)
O
vo
110
Dibenzothiazyl disulphide
s—S
CAS No. 00120-78-5

PM Ref. No. 46400
Restrictions None
Formula Ci4H8N2S4
Alternative names - 2,2'-Dithiobis[benzothiazole]
Physical Characteristics - Pale yellow powder, mp 177 - 180°C.

- Soluble in dichloromethane, benzene,
chloroform, acetone.

Safety
Current uses - Accelerator, stabilizer.

Applications - Rubber, PVC.
GC Retention time - Degradation product

2-Mercaptobenzothiazole 53.9 min.
105.000
86.000
67.000
S 48.000
29.000
10.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.
cm
Name : DIBENZOTHIAZYL DISULPHIDE
PM Nr : 46400 CAS Nr:00120-78-5

K B r pellet
112
CAS No. 00120-78-5 PM Ref. No. 46400
DIBENZOTHIAZYL DISULPHIDE

407.0 76.0 30.1
434.0 72.9 34.0
534.4 94.2 7.2
584.5 89.7 12.9
671.3 64.9 44.0
402.2 65.2 43.7
725.3 41.5 73.3
758.1 23.6 95.8
850.7 84.0 20.1
945.2 78.1 27.4
956.8 76.2 29.9
1005.0 22.4 97.3
1020.5 69.5 38.2
1080.3 74.9 31.5
1120.8 90.2 12.3
1157.4 80.9 24.0
1238.5 64.4 44.7
1275.1 76.8 29.1
1311.8 64.3 44.8
1429.4 20.8 99.3
1454.5 47.5 65.8
1468.0 20.2 100.0
1560.6 81.9 22.7
1589.5 86.4 17.1
1801.7 88.9 13.9
1919.4 89.1 13.6
2853.1 88.4 14.6
2922.5 82.6 21.9
3051.8 84.2 19.8
3063.3 79.3 25.9
3372.0 91.0 11.3
113
Dibenzothiazyl disulphide
r 4.4E5
4.1E5
3.9E5
3.7E5
3.5E5
.3.3*5
3.1E5
2.8E5
2.6E5
.2.4E5
.2.2X5
2.0E5
.1.185
1.585
.1.385
1.1E5
B.7E4
6.5E4
4.4E4
2.2E4
0.0E0
BO 100 120 140 160 ISO 200 220 240 2 60 2 SO 32o' 34θ" ' l ï o ' 'Uù 4 α
41 11.7 135 46.0

43 100.0 136 21.5
57 22.1 150 20.9
58 30.7 165 36.8
69 20.2 166 11.7
71 11.0 167 30.7
82 9.2 181 9.2
97 11.0 300 10.4
108 18.4 332 3.0
122 11.0
Scan Range 40-1000
114
2-Mercaptobenzothiazole
167
40 -
69
63 109
45 83 91 96 123
39 70 103 122 135 140
84
f—
110 I I [~142
"Τ1" 80
\^4
100
7..Ι...Γ.
140
40
45 9.1 109 15.8

63 14.2 123 11.4
64 11.7 135 4.4
69 21.5 140 5.6
83 11.1 167 100.0
91 9.8 168 9.8
96 11.3 169 8.5
108 13.4

Scan Range 40-500
CASn°
00120-78-5
] Name
DIBENZOTHIAZYL DISULFIDE
} Solvent
SK
SI
C6D 6
250.13
16384
SW 3125
NS 60
^áú
8.5 8.0 7.5 7.0 6.5
■H^^>^*iy»|W**«f^>iUH^»,>^»WW»N^'^>f^VMtW^^^^*WVf*^w^W*t*'W^>*fcfcTfc
6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
116
2,6-Di-tert-butyl-p-cresol
tert. Butyl tert. Butyl
CAS No. 00128-37-0

PM Ref. No. 46640
Formula C15H240
Alternative names - Butylated hydroxytoluene (BHT)
Physical Characteristics - White crystalline solid, mp 69-70°C, bp 265°C.


Safety - Harmful.


105.000
88.000
71.000
S 54.000
37.000 _
20 000
4000.00 3280.00 2560.00
Name :2,6-DI-TERT-BUTYL-p-CRESOL (ΒΗΤ)
PM Nr : 46640 CAS Nr : OOI28-37-0

KBr pellet
118
CAS No. 00128-37-0 PM Ref. No. 46640
2,6-DI-TERT-BUTYL-p-CRESOL(BHT)

418.6 77.3 29.9
468.8 82.2 23.4
580.6 78.1 28.8
619.2 91.1 11.7
769.7 49.3 66.6
812.1 85.1 19.7
866.1 44.2 73.4
887.4 78.9 27.8
1026.3 79.9 26.5
1120.7 55.8 58.1
1151.6 35.8 84.4
1199.9 54.8 59.5
1213.4 45.9 71.2
1230.7 42.9 75.0
1306.0 73.9 34.4
1361.9 55.8 58.2
1396.6 58.6 54.5
1433.3 33.06 88.0
2733.5 90.31 12.7
2872.4 36.65 83.3
2916.7 32.64 88.6
2955.3 23.96 100.0
3067.2 81.31 24.6
3626.6 43.99 73.7
119
2,6-Di-tert-butyl-p-cresol
205
220
20
57 145 206
I
77 91 105 115
Ι
43 55, 67 Ι 81 95 ' 119 149 161 |178 189
Χ ι.Ή»-. Li
1
ι ΙA*J- Ι
50
il 1,1 I I I , ,Ιι, ΓΓ
Μ/Ζ Ion Intensity (%) M/Z Ion Intensity (%)
41 8.4 161 4.1

57 10.7 177 7.5
77 4.5 189 4.0
91 7.0 205 100.0
105 6.6 206 13.2
115 6.3 220 27.3
133 5.2 221 4.0
145 9.8

Scan Range 40-500
io
o
D
Γ PM n° Λ Γ CAS η° "| Name
[ 46640 J [ 00128-37-0 J 2,6-DI-TERT-BUTVL-p-CRESOL (BHT) Solvent CDCL3
SF 250.13
SI 16384
SW 2380
NS 32
L JL Λ
121
3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt
Ca
t e r t . Butyl
O
I
CH 2 —P—O—C2H5
il
t e r t . Butyl o
CAS No. - 65140-91-2

PM Ref. No. - 46880
Formula - C34H5608P2Ca
Alternative names
Physical Characteristics - White crystalline powder, mp > 260°C.

Handling
Availability
Current uses
- Polyolefins, rubber, paper.
GC Retention time
IO
IO
105.000
84.000 _
63.000
« 42.000
21.000 _
0.000
4000.00 3280.00 2560.00
Name :3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONIC ACID, MONOETHYL ESTER, Ca SALT
PM Nr : 46880 CAS Nr : 65140-91-2

KBr pellet
123
CAS No. 65140-91-2 PM Ref. No. 46880
3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONICACID,
MONOETHYL, Ca SALT

414.8 91.6 9.0
436.0 80.1 21.4
476.5 78.3 23.3
518.9 37.8 66.8
574.9 78.0 23.6
617.3 92.2 8.4
638.5 64.9 37.7
733.0 90.8 9.9
767.8 81.6 19.8
779.3 69.2 33.1
800.6 54.9 48.5
848.8 70.0 32.2
881.6 71.1 31.0
891.2 77.1 24.6
958.7 48.0 55.9
1045.6 6.9 100.0
1101.5 67.8 34.6
1130.4 47.20 56.7
1159.4 17.83 88.3
1170.9 13.73 92.7
1213.4 51.92 51.7
1232.7 50.00 53.7
1273.2 79.23 22.3
1313.7 75.52 26.3
1361.9 72.15 29.9
1390.9 75.11 26.7
1435.2 35.93 68.8
2874.3 65.30 37.3
2910.9 54.12 49.3
2959.2 31.17 73.9
3644.0 54.20 49.2
124
3,5-Di-tert-butyl-4-hydroxybenzylphosphonicacid, monoethyl ester, calcium salt
r-p-r
700
40 21.3 203 33.3

41 65.3 219 54.7
43 18.7 229 20.7
45 33.3 257 34.7
55 25.3 285 34.7
56 34.0 314 15.3
57 24.7 341 100.0
73 10.0 342 21.3
147 25.3 356 82.0
161 12.7 357 30.7
Scan Range 40-1000
Γ PM n° ^ i CAS n° "| Name: s·
[ 46880 [ 65140-91-2 i] 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONIC CDjOD
Solvent
ACID, ETHYLESTER, Ca SALT SF 250.13
SI 16384
SW 3125
NS 96
>
Ak jJul
1.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
lo
Ln
126
2,4-Dihydroxybenzophenone
CAS No. 00131-56-6

PM Ref. No. 48640
Formula GBHÛJ
Alternative names - Benzoresorcinol
Physical Characteristics - White powder, mp 144.5 - 147°C.

- Soluble in alcohol, benzene, ether,
glacial acetic acid.

Safety
Current uses - UV-stabilizer.

Applications - Polyolefins.

105.000
84 000
63.000
42.000
21.000
0.000
4000.00 3280.00 2560.00
Name : 2,4-DIHYDROXYBENZOPHENONE
PM Nr : 48640 CAS Nr : 00131-56-6

K B r pellet
IO
-J
128
CAS No. 00131-56-6 PM Ref. No. 48640
2,4-DIHYDROXYBENZOPHENONE

412.8 65.8 35.3
428.3 55.8 45.6
464.9 65.8 35.3
517.0 61.1 40.2
532.4 72.5 28.3
590.3 55.9 45.5
628.9 20.3 82.2
700.3 15.5 87.2
731.1 54.6 46.9
742.7 45.5 56.3
752.3 41.0 60.9
783.2 26.2 76.1
814.1 75.7 25.1
850.7 41.6 60.3
862.3 40.4 61.5
914.4 45.2 56.6
937.5 75.3 25.5
949.1 81.3 19.3
980.0 47.0 54.7
1034.0 72.0 28.9
107B.3 62.3 38.9
1122.7 13.9 88 8
1167.1 15.7 87.0
1178.7 16.6 86.0
1221.1 12.7 90.1
1280.9 3.1 100.0
1321.4 4.1 98.9
1360.0 15.6 87.1
1446.8 16.7 86.0
1491.2 9.3 93.6
1562.5 14.3 88.4
1599.2 13.5 89.2
1630.1 5.4 97.7
1894.3 85.9 14.6
1965.7 83.4 17.1
2536.7 88.4 11.9
2594.6 84.5 16.0
2720.0 79.2 21.5
2764.3 80.7 19.9
2837.6 70.5 30.4
2883.9 63.0 38.2
2920.6 58.3 43.1
2965.0 53.0 48.5
3024.8 43.7 58.1
3063.3 34.5 67.6
3119.3 26.0 76.4
3152.1 19.9 82.7
3970.0 89.6 10.8
129
2,4-Dihydroxybenzophenone
137
105
I
53 69
55 63 84 93 107 115 128 185 197
[~12^ί
> 98
XX 1. ¡141 Ìp7 168 181 Ι 196 ι 207
Il ~ΠΙ, , -τ— Γ
51 16.7 137 91.9

53 9.4 138 6.2
69 8.4 213 100.0
77 32.2 214 78.9
81 10.5 215 10.5
105 15.7

Scan Range 40-500
OJ
Name
f Solvent Λ
CDCL3
) SF 250.13
SI 16384
SW 4000
I» " )
I I I 1 I
(ppm;
[31
4,4'-Dihydroxybenzophenone
CAS No. 00611-99-4

PM Ref. No. 48720
Formula Ci3H10O3
Alternative names Methanone, bis(4-hydroxyphenyl)
Physical Characteristics Yellow powder, mp 213 - 215°C, bp 350°C.


Safety Irritant.
Current uses UV-stabilizer.


to
105.000
84.000 _
63.000
S 42.000
21.000 _
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"1
Name : 4,4-DIHYDROXYBENZOPHENONE
PM Nr : 48720 CAS Nr : 00611-99-4

KBr pellet
133
CAS No. 00611-99-4 PM Ref. No. 48720
418.6 71.4 31.2
513.1 58.7 44.9
582.6 31.9 74.0
634.7 67.5 35.3
671.3 70.1 32.5
686.7 57.7 46.1
731.1 72.9 29.4
771.6 43.9 61.1
814.1 78.5 23.3
854.6 40.9 64.3
929.8 48.4 56.1
970.3 67.1 35.8
1010.8 82.7 18.8
1115.0 47.0 57.6
1151.6 21.0 86.0
1165.2 14.4 93.1
1178.7 57.0 46.7
1244.2 8.1 100.0
1269.3 19.7 87.3
1286.7 21.6 85.3
1317.5 15.8 91.6
1388.9 60.3 43.2
1446.8 26.9 79.6
1508.5 43.5 61.4
1574.1 15.6 91.9
1595.3 11.9 95.9
1628.1 29.2 77.0
1929.1 89.4 11.5
2442.2 82.4 19.2
2573.4 78.7 23.2
2667.9 75.1 27.1
2789.4 70.2 32.4
2885.9 66.1 36.8
2930.2 59.9 43.6
3024.8 49.2 55.3
3163.6 31.0 75.0
3339.2 24.9 81.7
134
4,4' -Dihydroxybenzophenone
100
60 - 65
214
50 62 128 157 185 197

43 75 8 7 102 118 131 139 164 186 198
,, I —
:
-ii -U-m- ■ I
Jo. -H- Γ
100 150 2O0
50 4.6 121 100.0

53 9.5 128 6.7
63 20.3 157 5.2
64 8.8 185 5.2
65 55.3 214 22.3
93 29.8 215 3.1

Scan Range 40-500
Γ PM η° ^
[ 48720 ]
Γ CAS η°
[ 00611-99-4
^
J
Name
4,4'-DIHYDROXYBENZOPHENONE Solvent
Λ
acetone-d¿
) SF 250.13
SI 16384
SW 3125
NS 32
(ppm)
U)
Ui
136
Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) and

Mono-n-octyltin tris(2-ethylhexyl mercaptoacetate)
O C2H5
|| |
S — C H 2 — C — O — C H 2 — C H — C4H9
Sri
CsHi7
2
O C2H5
b
|| |
C a H 1 7 — S n --S—CH2—C—O—CH2—CH—C4H9
3
CAS No. - 15571-58-1 and 27107-89-7

PM Ref. No. - 50320 and 67680
Restrictions - SML = 0.02 mg/kg for all
di-n-octyltin derivatives.
- SML = 1.2 mg/kg for all
mono-n-octyltin derivatives.
Formula - C36H7204S2Sn and C38H7406S3Sn
Molecular weight - 750.7 and 840.7
Alternative names
Physical Characteristics Viscous colourless liquid, mp < 0CC,

bp >250°C.
Soluble in toluene, hexane, tetrahydrofuran.

Safety - Irritant.
Availability - Liquid preparation containing
PM Ref. No. 50320 and 67680.

Applications -PVC.
GC Retention time - Octyl thioglycolate 25.4 min.

105.000
ifHfK*^ f*^^^^^*^^*^
-—Λ fé uÂ/w Ι
.....
ñuII
ι Ιι
75.000
CU
υ
Π5
4-1
ΙΛ
S
(_ 60.000
ι—
*■<
1
45.000
30.000
ι ι ι ι
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : DI-N-OCTYLTIN BIS(2-ETHYLHEXYLMERCAPTOACETATE) + MONO-N-OCTTYLTIN

TRIS(2-ETHYLHEXYLMERCAPTOACETATE)
PM Nr : 50320 + CAS Nr : 15571-58-1 / 27107-89-7
67680
--α
138
CAS No. 15571-58-1 and 27107-89-1 PM Ref. No. 50320 and 67680
DI-N-OCTYLTIN BIS(2-ETHYLHEXYLMERCAPTOACETATE)
+ MONO-N-OCTYLTIN TRIS(2-ETHYLHEXYLMERCAPTOACETATE)

434.0 86.5 21.3
464.9 87.6 19.6
1130.4 73.6 41.6
1182.5 70.7 46.2
1290.5 60.8 61.8
1400.5 90.3 15.3
1460.3 74.1 40.9
1730.4 58.3 65.8
2855.0 56.0 69.4
2926.4 36.6 100.0
2961.1 44.1 88.2
139
Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) and

Mono-n-octyltin tris(2-ethylhexyl mercaptoacetate)
¡554 607 vie«

x 697.69975175J1755
i Je
0 600 βίο' 'Voo 'Vio ' B0Ò
27 21.4 71 73.2
29 31.9 83 23.5
41 62.5 84 18.9
42 29.3 112 23.4
43 31.1 549 23.8
55 53.0 637 21.0
56 43.7 639 34.9
57 100.0 640 21.2
69 27.4 641 28.1
70 52.0 643 23.5
Scan Range 25-1000
140
Octyl thioglycolate
43
112
61 83 113
I
67
-
T "
60
41 41.8 70 22.2
42 10.6 71 64.2
43 68.8 83 8.7
47 23.3 84 3.7
55 28.4 92 5.3
56 10.8 112 15.7
57 1 00.0 113 9.0
69 9.2

Scan Range 40-700
PM/Ref. No. 50320/67680
'
J.LI
!
i - i '
■M, ■ ' ι '■■ : ι ιι ' ' I >
1
: 1 1 1 ί-τ . . . 1 ; , ι ι
3.0
F=^
. ■ ■ ι
,.. - , LT.- :
7D G(] 4.0 1.0 u;;
(ppm)
' i ' l
142
Di-n-octyltin bis(isooctyl mercaptoacetate) and

Mono-n-octyltin tris(isooctyl mercaptoacetate)
o ÇaH17 O
H I il
CeHiv—O—C—CH 2 -
-S—Sn—S—CH2—C—O—C8H17
C8H17
o
il
CeH17—Sn4-S—CH2—C—O—C8Hn
CAS No. - 26401-97-8 and 26401-86-5

PM Ref. No. - 50480 and 67760
di-n-octyltin derivatives.
-SML = 1.2 mg/kg for all
mono-n-octyltin derivatives.
Formula - C 36 H 72 0 4 S 2 Sn and C 38 H 74 0 6 S 3 Sn
Molecular weight - 750.7 and 840.7
Alternative names
Physical Characteristics Viscous colourless liquid, mp <0°C,

bp > 250°C.
Soluble in toluene, hexane, tetrahydrofuran.

Safety - Irritant.
Availability - Liquid preparation containing
Pm Ref. No. 50480 and 67760.

Applications -PVC.
GC Retention time - Isomers of octyl thioglycolate

cluster 24.6 - 26.4 min.
105.000
88.000
71.000
™ 54.000 _
37.000
ÜO.OOO
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : DI- N-OCTYLTIN B1S( ISOOCTYLMERCAPTOACETATE) + MONO-N-OCTYLTIN

TRIS(ISOOCTYLMERCAPTOACETATE)
PM Nr : 50480 + CAS Nr : 26401-97-8 / 26401-86-5
67760 KBr pellet
4^
144
CAS No. 26401-97-8 and 26401-86-5 PM Ref. No. 50480 and 67760
DI-N-OCTYLTIN BIS(ISOOCTYLMERCAPTOACETATE)
+ MONO-N-OCTYLTIN TRIS(ISOOCTYLMERCAPTOACETATE)

443 7 92.0 86.0
455.3 89.1 14.1
470 7 91.7 10.8
484 2 91.3 11.3
679.0 89.5 13.6
991.5 83.1 21.9
1070.6 90.1 12.8
1122.7 65.6 44.6
1047.8 59.3 52.8
1184.4 61.4 50.1
1292.5 55.6 57.6
4367.7 87.5 16.2
1381.2 80.4 25.4
1466.1 64.7 45.8
1541.3 87.5 16.2
1578.0 88.4 15.0
1709.1 58.4 54.0
1437.2 53.6 60.2
2855.0 45.8 70.3
2928.3 22.9 100.0
2959.2 28.3 93.0
3856.2 90.7 12.1
3454.9 90.7 12.1
145
Di-n-octyltin bis(isooctyl mercaptoacetate) and

Mono-n-octyltin tris(isooctyl mercaptoacetate)
150 175 200 225 250 275 300 325 350 375 400 425 450 475 500 525 550 575 600
41 27.5 71 100.0
42 9.3 83 23.0
43 69.0 84 26.8
47 12.0 85 11.8
55 35.8 92 9.1
56 20.4 97 12.5
57 54.5 112 23.6
58 22.7 113 22.1
69 41.4 149 13.9
70 23.6 639 10.3
Scan Range 25-1000
146
Isomers of octyl thioglycolate
BO -
43
20
59 68 145
. ii.
120
41 51.3 70 10.2
42 10.9 71 71.1
43 60.8 75 12.9
47 30.3 83 14.3
55 57.7 84 31.7
56 33.3 112 15.7
57 1 00.0 113 10.9
69 36.6

Scan Range 40-700
PMn° CASn° Name
50480 26401-97-8 DI-n-OCTYLTINBIS(lSOOCTYLMERCAPTOACETATE) Solvent CDCL3
67760 26401-86-5 MONO-n-OCTYLTINTRIS(ISOOCTYLMERCAPTOACETATE) SF 250.13
SI 16384
SW 3125
NS 24
i.5 8.0 7.5 7.0. 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
148
N, N' -Diphenylthiourea
11
NH—C—NH
CAS No. 00102-08-9

PM Ref. No. 51680
Restrictions SML - 3.0 mg/kg
Formula C13H12N2S
Alternative names - Thiocarbanilide
Physical Characteristics - White crystalline powder, mp 152 - 155°C.

- Soluble in alcohol, ether, chloroform.

Safety - Toxic.
Current uses - Vulcanizing, stabilizer.

Applications - PVC, PVDC, rubber.
GC Retention time - Degradation products 11.8, 19.1, 33.3 min.

105.000
92.000 _
79.000
66.000
53.000 _
40.000
4000.00 3284.00 2568.00
Name : Ν,Ν-DIPHENYLTHIOUREA
PM Nr : 51680 CAS Nr : 00120-08-9

KBr pellet
-t-
ve
150
CAS No. 00102-08-9 PM Ref. No. 51680
N.N'DIPHENYLTHIOUREA
418,6 71,9 35,5
486,1 75.1 31,4
611,5 79,7 25,6
630,8 53,7 58,5
644,3 61,5 48,6
698,3 20,8 100,0
758,1 53,9 58,2
933,7 76,3 29,9
1003,1 78,8 26,8
1024,3 74,0 32,8
1070,6 73,1 34,0
1136,2 83,5 20,8
1172,9 76,0 30,3
1223,0 65,5 43,6
1244,2 60,4 50,0
1294,4 50,4 62,6
1315,6 53,4 58,9
1344,6 38,8 77,3
1495,0 62,1 47,9
1529,7 48,6 64,9
1551,0 43,6 71,2
1591,5 70,5 37,3
1599,2 62,7 47,1
2905,2 86,5 17,1
3013,2 59,1 51,7
3036,3 57,1 54,2
3125,1 67,8 40,7
3206,1 40,8 74,8
151
Ν,Ν'-Diphenylthiourea
look 5J JXT.5UB0 .S.lEÎ
9S. .5. « 6
90, 5.1E6
8b_ .4.BEE
L 4
BO .4.5E6
75. 4.3E6
77
70 .i.oitú
65. 3.7E6
1. s
10. 3.4BÍ
55. 3.1ES
50_ 2.BE6
IS 2.6E6
40. .2.3EG
35. 2.0E6
51
30_ .LIES
25 .1.416
6E
20 1.1E6
228
15 LB.SE5
10 5Β . 5 . 7E5
103
5 ■ j 2.BE5
0
ik· L Lu i
Ό sfa
till
6*0 i'o
-■ I
'β'ο' ' ' Vt ioo' I.A..
i,
'ilo lii' lii
1Uo' i„
iso
|l|
i έό''iío'
1
ii ¿' 'isto' '¿¿ò ¿io' 220
■J2l._
30 24D 2 0
O.ÛEO
m/i
50 12.3 78 6.1
51 33.1 91 17.8
58 9.2 92 10.4
63 7.4 93 100.0
64 8.0 94 7.4
65 16 135 63.8
66 20.9 136 10.4
67 6.1 194 82.2
76 8.6 195 15.3
77 73.6 228 19.0
Scan Range 40-1000
152
Degradation product
92_
94
41 45 51 54 63 67 74 77 78 81 89
4-U " Τ ' I Ιι I I"Γ
70 80 90
41 3.8 66 27.2
45 3.1 92 11.2
46 7.2 93 100.0
51 3.4 94 7.0
63 3.6 95 0.4
65 14.8

Scan Range 40-500
153
Degradation product
100 -ι
80 -
77
60 -
51
67
52 54 69 76 78 83 91 99 103 108 119 134
I I I
-1
I ! i I
n 100 120
60
50 8.0 78 3.6
51 21.1 91 3.7
67 7.7 103 1.5
74 3.2 135 100.0
75 3.2 136 9.3
76 3.7 137 4.4
77 59.9

Scan Range 40-500
154
Degradation product
194
60 -
91
I
64 97 193_
30 118 129 135 154 166 179
Ι Ι Γ I I
L-Û
75 -Vi 125
. !·.'.. Ι ι·ι 175
51 17.7 97 6.0
63 4.6 118 3.7
64 5.7 193 6.3
76 5.1 194 100.0
77 36.5 195 15.0
91 23.1 196 0.6

Scan Range 40-500
Γ PM η° ^ f CAS η° ^
[51680 J [_ 00102-08-9 Ij
Name
N.N'DIPHENYLTHIOUREA
D Solvent
SF
SI
CDCI3
250.13
16384
sw 3125
NS 16 J
Í
I I I I I I I I I I | I I I I I I I I I | I ■ ' ' ' Ι Γ Ι Ι Τ Ι ΓΙ ι ι ι Τ"ϊ Ι Ι Ι Ι ï τ ι ι ι ι τ
S 7 6 2 1 0
(ppm)
Ui
156
Dodecylbenzenesulphonic acid
C12H25
SO3H
CAS No. 27176-87-0

PM Ref. No. 52000
Formula Ci8H 3 0 U 3 o
Alternative names Laurylbenzenesulfonic acid
Physical Characteristics Viscous brownish liquid, mp 10°C, bp 315°C.

Soluble in water, alcohol, ether.

Safety Hygroscopic.
Current uses Antistatic agent, emulsifier.

GC Retention time
Note Current use as Dodecylbenzene sulphonic acid,

Na-salt.
105.000
93 000
81.000 _
m 69.000
57.000
45.000
4000 00 3280.00 2560 00 1840.00 1120.00 400.0
cm
Name : DODECYLBENZENESULPHONIC ACID
PM Nr : 52000 CAS Nr : 27176-87-0

KBr pellet
158
CAS No. 27176-87-0 PM Ref. No. 52000
DODECYLBENZENE SULPHONIC ACID

420,5 81,8 39,1
584,5 84,9 32,5
1008,9 72,3 59,6
1037,8 73,5 57,0
1130,4 63,8 77,9
1172,9 61,9 82,0
2926,4 53,5 100,0
2957,2 71,2 61,9
3213,8 89,3 23,0
3250,5 86,2 29,7
3372,0 73,0 58,1
CASn0
27176-87-0
D Name
DODECYLBENZENE SULPHONIC ACID
] Solvent
SF
SI
CDCI3
250.13
16384
SW 4000
NS 32
I 1 I I I I I 1 1 1 Ι I I I I i 1 ι ι ι Ι I I I I 1 ι ι ι ι I I I I I I I I I
1
(ppm)
160
Erucamide
CH3-(-CH2)—CH^CH-(CH2)—C—NH2
CAS No. 00112-84-5

PM Ref. No. 52720
Restrictions None
Formula C22H43NO
Alternative names - Cis-13-docosenoamide
Physical Characteristics - White flakes or beads, mp 75 - 80°C,

bp decomposes.
- Soluble in isopropanol, slightly in alcohol,
acetone.

Safety
Current uses - Slip and anti-blocking agent.

Applications - PVC, polyolefins.

105.000
84.000
63.000
42.000
21.000 _
0.000
4000.00 3280.00 2560.00
Name : ERUCAMIDE
PM Nr : 52720 CAS Nr : OOI 12-84-5

KBr pellet
162
CAS No. 00112-84-5 PM Ref. No. 52720
ERUCAMIDE
412.8 85.0 16.1
451.4 93.3 7.2
522.8 92.6 7.9
545.9 88.3 12.5
648.2 45.1 59.0
721.5 62.8 39.9
804.4 78.1 23.5
816.0 73.7 28.2
1118.9 68.8 33.5
1205.7 86.3 14.7
1215.3 79.7 21.8
1246.2 77.5 24.2
1273.2 86.6 14.4
1302.1 76.9 24.8
1325.3 84.6 16.6
1344.6 89.4 11.3
1419.8 38.5 66.1
1469.9 32.11 72.9
1645.5 12.38 94.1
2849.2 10.09 96.6
2918.7 6.89 100.0
3011.3 58.54 44.5
3186.8 40.44 64.0
3312.2 69.92 32.3
3393.2 24.47 81.1
163
Erucamide
59
60
■ -il
43
83
86 97 114 126
: ι ι r~ 212 240 294 320
140 154
1
170 184 I I I
T Pi ,ψ, ι'Ι Ι
■M- Γ
-r-H-
50 100 Ί| , Μ ι Ι . ι Ί | ι ,τ',"!' 300
150
M/Z Ion I ntensity (%) M/Z Ion Intensity (%)
41 49.8 69 24.7
42 10.3 72 51.9
43 42.5 81 11.0
44 29.2 83 13.0
55 59.6 86 7.3
56 12.0 114 6.2
57 20.0 126 7.5
59 100.0 320 1.3
60 10.4 337 3.7
67 14.1 338 0.9

Scan Range 40-500
4^
fPMn" "I
^ 52720 J
Γ CASη° "l
[ 00112-84-5 J
Name
ERUCAMIDE
r Solvent CDCLj
Λ
SF 250.13
SI 16384
SW 3125
ι NS
32
)
165
2-Ethoxy-2 ' -ethyloxanilide
CpH
n
5 C2H5O
O O
il i l
NH—C—C—NH
CAS No. 23949-66-8

PM Ref. No. 53200
Formula C18H20N2O3
Alternative names - 2-ethoxy-2'-ethyl-oxalic acid-bis anilide
Physical Characteristics - White to slightly yellow powder,

mp 124 -127°C, bp > 400°C.
- Soluble in acetone, chloroform,
dichloromethane.

Safety

Applications - PVC, PMMA, PE.

11)5 OCO
.^Mf\ ^-" Λ» -
J"
i\/v X>
'Μ OCIO fl
If/V
/
i)3 ODO ..
!î M· 300 .
;;i ooo
0 0(0 .
1 1 1
4Q0C co 32E0 00 256C.00 1840 00 1120.00 400 0
cm
Name :2-ETHOXY-2'-ETHYLOXANILID E
PM Nr : 53200 CAS Nr :23949-66-8

KBr pellet
167
CAS No. 23949-66-8 PM Ref. No. 53200
2-ETHOXY-2'-ETHYLOXANILIDE

414,8 87,1 14,2
430,2 87,6 13,7
459,1 68,0 35,2
480,3 76,1 26,3
507,3 85,2 16,3
524,7 84,8 16,7
540,1 61,3 42,6
572,9 82,7 19,0
702,2 38,6 67,6
721,5 34,6 72,0
754,3 23,1 84,7
785,1 82,7 19,0
816,0 64,0 39,6
881,6 73,8 28,8
929,8 66,1 37,3
1049,4 42,5 63,3
1105,4 70,1 32,9
1122,7 38,4 67,8
1167,1 73,4 29,3
1184,4 88,1 13,1
1217,2 54,0 50,6
1259,7 21,5 86,4
1288,6 43,2 62,5
1325,3 55,5 49,0
1369,6 69,8 33,3
1392,8 41,5 64,4
1454,5 10,8 98,2
1471,9 24,4 83,2
1493,1 24,6 83,0
1516,2 10,4 98,6
1587,6 42,6 63,2
1601,1 40,2 65,8
1668,6 9,2 100,0
2870,4 67,9 35,3
2932,2 66,4 37,0
2965,0 54,2 50,4
3065,3 88,1 13,1
3281,3 24,2 83,5
168
2-Ethoxy-2'-ethyloxanilide
60 -
20 109
120
91
39 52 164
U
2 67
165 191 237 249 . 283
ftJII "Τ"
1111
I·'·'·.'·' '
50 100 150
200
29 12.8 120 14.2

65 9.5 121 12.0
77 13.0 136 26.6
79 10.9 137 100.0
80 18.6 138 10.5
106 15.7 148 14.0
108 26.3 312 32.1
109 17.4 313 5.5

Scan Range 25-450
í PM η° ^
^ 53200 J
Γ CAS η°
[^ 23949-66-8
"|
J
Name
2-ETHOXY-2'-ETHYLOXANILIDE Solvent
Λ
CDCL3
SF 250.13
SI 16384
SW 3125
Ι I I I I I i ι ι ι Ι ι ι ι ι ι ι ι ι ι Ι ι ι τ r | ι Ι Τ Τ Ι Ί ι ι ι | ι r n M
I ' ' ι ' ' -ι ι ι τ π r ι τ ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι~
Ά 7 3 2 1 0
(ppm)
ON
170
Ethylbenzene
-C?H
2^5
CAS No. - 00100-41-4

PM Ref. No. - 53255
Formula " CgHl0
Alternative names - Ethylbenzol
Physical Characteristics - Colourless liquid, mp -95°C,

- Soluble in most organic solvei

Safety - Harmful.
Current uses - Solvent.

Applications - PS.

105.000
88.000
Ml
íí\r\ n,
71 000
54.000
37.000
20.000
1
4000 00 3280.00 2560 00 1840.00 1120.00 400.0
cm
Name : ETHYLBENZENE
PM Nr : 53255 CAS Nr : 00100-41-4
KBr pellet
172
CAS No. 00100-41-4 PM Ref. No. 53255
ETHYLBENZENE

412,8 89,6 14,6
428,3 76,4 33,2
455,3 91,4 12,1
468,8 88,2 16,6
486,1 78,8 29,8
555,6 77,8 31,2
696,4 28,8 100,0
746,5 55,3 62,8
771,6 74,7 35,5
1062,9 91,9 11,4
1375,4 91,2 12,4
1454,5 49,8 70,5
1496,9 53,1 65,9
1605,0 79,3 29,1
2874,3 65,6 48,3
2934,1 52,8 66,3
2966,9 32,3 95,1
3028,6 53,1 65,9
3065,3 70,7 41,2
173
Ethylbenzene
91
77
ι
52
!S3 ?3
Λ
50 70 90
50 3.1 89 2.0
51 9.9 91 100.0
52 3.1 92 6.8
63 2.9 103 3.0
65 6.8 104 0.9
74 1.1 105 5.0
77 7.9 106 35.1
78 6.2 107 2.4
79 3.3

Scan Range 40-500
fpMn° ^ f CAS n° ^ Name
{ 53255 ^ 00100-41-4 J ETHYLBENZENE Solvent CDCI3
) SF 250.13
SI 16384
SW 3125
NS 24
i
(ppm)
175
Ν,Ν'-Ethylenebisstearamide
O
il
C17H35—C—NH—CH2-
CAS No. -00110-30-5

PM Ref. No. - 53520
Restrictions - None
Alternative names - Bisstearoylethylenediamine
Physical Characteristics - Slightly yellow powder, mp 144 - 146°C.
- Not soluble.
Handling
Availability
Current uses
Applications - Antistatic agent, lubricant, release agent.
- General use.
GC Retention time
-J
ON
105.000
34.000 _
63.000
42.000
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
Name : N,N'-ETHYLENEBISSTEARAMIDE
PM Nr : 53520 CAS Nr : 0010-30-52

KBr pellet
177
CAS No. 00110-30-5 PM Ref. No. 53520
Ν,Ν'-ETHYLENEBISSTEARAMIDE

436.0 90.7 9.8
584.5 82.5 18.4
526.9 87.9 12.7
679.0 75.3 26.0
702.2 79.4 21.7
717.6 64.8 37.0
1225.0 80.1 20.9
1250.0 72.1 29.3
1315.6 86.2 14.5
1331.0 84.5 16.3
1381.2 74.9 26.4
1425.6 61.5 40.5
1471.9 36.4 66.9
1456.7 25.1 78.8
1639.7 13.4 91.1
2849.2 10.9 93.7
2916.7 4.9 100.0
2957.2 36.7 66.6
3074.9 75.6 25.7
3209.9 82.7 18.2
3300.6 17.0 87.3
178
N, N '-Ethylenebisstearamide
¡¿MM ϊ Η 4 UsL· di
43 30.0 309 18.0

44 32.7 310 12.7
55 9.3 340 10.0
57 16.7 368 13.3
73 12.0 536 45.3
85 13.3 537 16.0
86 12.7 564 100.0
144 11.3 565 34.7
281 14.0 592 56.7
282 10.0 593 22.0
Scan Range 40-1000
D
PMn° I Γ CAS η° ^ Name Solvent CDCL3
53520 Ι ^ 00110-30-5 Ν,Ν'-ETHYLENEBISSTEARAMIDE SF 250.13
SI 16384
svv 6494
NS 188
1.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5
UI
1.0 0.5 0.0
(ppm)
NC
180
Ethyleneglycol bis(3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate)
tert. Butyl
CH3—C-CH2-C—O-CHi
tert. Butyl
CAS No. - 32509-66-3

PM Ref. No. - 53670
Formula - CjgHÔg
Alternative names
Physical Characteristics - Slightly yellow crystalline powder, mp 169°C.
- Soluble in acetone, methanol, chloroform.

Handling
Availability
Current uses
- PP, PE
GC Retention time
105.000
89.000 _
73.000 _
ra 57.000 _
41.000 _
25.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"
Name : ETHYLENE GLYCOL BIS(3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL) BUTYRATE)
PM Nr : 53670 CAS Nr : 32509-66-3

K B r pellet
182
CAS No. 32509-66-3 PM Ref. No. 53670
ETHYLENE GLYCOL BIS(3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL)

BUTYRATE)

410.9 86.3 19.9
499.6 86.8 19.2
563.3 91.9 11.8
650.1 79.3 30.2
817.9 48.5 74.9
891.2 84.4 22.7
983.8 88.0 17.5
1022.4 88.0 17.4
1086.1 36.9 91.9
1153.6 38.9 89.0
1203.7 32.0 99.0
1259.7 39.8 87.7
1292.5 56.9 62.8
1336.8 54.7 66.0
1365.8 45.6 79.2
1408.2 38.2 90.0
1462.2 63.4 53.4
1485.4 62.51 54.6
1508.5 40.29 86.9
1720.7 39.99 87.4
2868.5 58.21 60.8
2912.9 51.12 71.2
2959.2 31.32 100.0
3198.4 85.84 20.6
3451.1 48.25 75.3
183
Ethyleneglycol bis(3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate)
\ ι τι ιτ-ηη γ- τητΊτ-ίη'Pi-n-rrrc
Η -ητ-Γρ-π r τ ρ - ι τ ί ρ - ΐ Ί .'i-i-i-i-i-i-ri-T-rr-r-r-H i-ivr. ι-ι r-.-· ι i v i r r i
ι-,,,,
0 2¿0 Í50 300 350 400 450 SOU 550 bau bSO VÒO ISU 600 tìiU SOU !fìo
41 44.3 91 15.3
43 88.5 107 15.0
55 33.6 119 42.6
57 47.7 121 13.9
69 16.4 135 18.1
70 12.4 325 100.0
73 23.2 326 24.0
77 17.2
Scan Range 40-1000
oo
4^
PMn° I i CAS η° ^ Name:

53670 Ι [ 32509-66-3 - ETHYLENEGLYCOL BIS (3,3-BIS (3-TERT-BUTYL-4- Solvent CDCLj
HYDROXYPHENYL) BUTYRATE) SF 250.13
)
SI 16384
SW 3125
NS 32
J
JL
■τι π τ η » rt r ι ι ι ι ι Ι Ί Τ Ι ι ι ι ι ι ι Ii ι ι ι
0
(ppm)
185
2-Ethylhexanoic acid
C2H5
I
C4H9—CH—C—OH
II
o
CAS No. - 00149-57-5

PM Ref. No. - 54120
Restrictions - None
Formula - CgH1602
Alternative names - 2-Ethylcaproic acid
Physical Characteristics - Coulourless liquid, mp -59°C, bp 228°C.
- Soluble in water, alcohol, ether.

Handling
Availability
Applications -PVC.
Note - Current use as calcium- or zinc salt.

co
105.000
87.000
69.000 _
¡3 51.000 _
33.000
15.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm'1
Name : 2-ETHYLHEXANOIC ACID
PM Nr .-54120 CAS Nr:00149-57-5

KBr pellet
187
CAS No. 00149-57-5 PM Ref. No. 54120
2-ETHYLHEXANOIC ACID

414.8 87.5 15.7
439.8 87.5 15.7
945.2 82.3 22.3
1205.7 82.3 22.3
1228.8 68.9 39.1
1273.2 74.3 32.4
1383.1 85.2 18.6
1415.9 78.7 26.8
1462.2 66.6 42.0
1709.1 20.5 100.0
2638.9 88.1 15.0
2862.7 57.3 53.7
2876.3 55.4 56.1
2936.0 39.9 75.6
2965.0 37.5 78.6
188
2-Ethylhexanoic acid
60 -
20 101 116
I
27 39 I
I Π
45 53 97
—ι
J L I
M1"
100 120
27 10.6 73 87.3
29 9.9 87 20.2
39 10.5 88 100.0
41 27.9 89 4.4
42 4.7 101 14.5
43 15.0 115 8.7
55 18.2 116 15.2
57 26.2 129 0.5

Scan Range 25-400
PMn°
54120
J ' CAS n°
^ 00149-57-5
^ Name
2-ETHYLHEXANOIC ACID
D Solvent
SF
SI
CDCL3
250.13
16384
SW 3125
VNS ° J
(ppm)
190
Gallic acid , propyl ester
0
il
C—O—C3H7
OH
CAS No. - 00121-79-9

PM Ref. No. - 55360
Restrictions - SML = 30 mg/kg as gallic acid
Formula ■ CrøHjjOj
Alternative names - Benzoic acid, 3,4,5-trihydroxy-,
Physical Characteristics - White crystalline powder, mp If

- Soluble in alcohol, ether, water.

Safety - Harmful.


105.000
84 000
63.000
ra 42.000 _
21.000 _
0 000
4000 00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : GALLIC ACID, PROPYL ESTER
PM Nr : 55360 CAS Nr : 00121-79-9

KBr pellet
192
CAS No. 00121-79-9 PM Ref. No. 55360
GALLIC ACID, PROPYL ESTER

420,5 70,3 31,4
459,1 85,4 15,4
536,3 59,0 43,3
644,3 48,4 54,5
731,1 58,2 44,1
746,5 33,7 70,0
771,6 42,0 61,2
868,1 53,7 48,9
910,5 78,4 22,8
925,9 79,1 22,1
978,0 41,6 61,7
995,4 31,3 72,5
1035,9 10,3 94,7
1099,6 56,8 45,6
1197,9 7,0 98,2
1244,2 7,0 98,2
1315,6 5,3 100,0
1340,7 18,8 85,7
1385,1 20,9 83,5
1408,2 16,1 88,6
1468,0 26,1 78,0
1541,3 27,1 77,0
1618,5 14,6 90,2
1693,7 9,4 95,7
2685,2 84,7 16,2
2880,1 60,5 41,7
2939,9 58,1 44,2
2968,8 42,5 60,7
3071,1 73,1 28,4
3107,7 70,0 31,7
3323,8 16,1 88,6
3468,4 10,6 94,4
3503,2 14,7 90,1
193
Gallic acid, propyl ester
LAU p»55360 13 _5.7fcfi
95. 5.5E6
90. .5.2E6
85. .4. »C
βο_ 4.GE6
75, .4.3EÍ
10. 1 α .«.ose
65_ 3.1*6
60. 3.4K6
55, .3.216
50- 2.9K6
45. 2.6S6
40_ .2.316
35_ 2 2 .2.0E6
30_ ;1.7«6
25_ 5Β
Li. 4M
20_ . 1 . 1EÍ
15- 1 5 S.6E5
10- 7? i.5. 7E5

SI 161
5. | , 114
2.9E5
.I
0
'
III 5Ό
0
II... ill,!. J
60 70
. ■l'i' iVt'li'i Jj
V' 90 'Í¿Ó' l i ó i í o
... ,1.1.1.
lio ilo Ί' ,
150 160
I"
ί 0
ι "** ' i ''I'*1' ι ' ■
160 190 2 0 0
ZÌO
I l'I,
2 2 0 ' 23Q 2 0
Q.QCO
2 0 M/I
L·
41 9.8 153 100.0

43 6.7 154 11.0
51 7.4 167 7.4
58 25.8 170 70.6
79 9.8 184 6.1
125 15.3 212 35.0
126 6.1 213 5.5
Scan Range 40-1000
sO
-c
f PMn° ^
{ 55360 J
f CAS n°
[ 00121-79-9
"l
J
Name
GALLIC ACID, PROPYL ESTER
y
Solvent Λ
acetone-di
) SF 250.13
SI 16384
SW 3125
NS 276
ippm)
195
Glycerol monooleate
CH2—O—C^CH¡VcH—CH-£cH2~-)-CH3
7
CH—OH
I
CH2—OH
CAS No. 25496-72-4

PM Ref. No. 56960
Restrictions None
Formula C2iH 4 0 (j 4
Alternative names Glycerol, 1 -mono(9-octadecenoate)
Physical Characteristics Yellow liquid, mp 25°C, bp 238 - 240°C.

Soluble in hexane, benzene, alcohol, ether.

Safety
Availability Standard sample supplied.
Current uses Lubricant.

GC Retention time
105.000
86.000 _
67.000
™ 48.000
29.000
10.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm '
Name : GLYCEROL MONOOLEATE
PM Nr : 56960 CAS Nr : 25496-72-4

K B r pellet
197
CAS No. 25496-72-4 PM Ref. No. 56960
GLYCEROL MONOOLEATE

441.8 87.9 14.7
723.4 90.0 12.2
1053.3 85.9 17.2
1118.9 84.6 18.8
1174.8 68.0 39.1
1246.2 80.9 23.3
1379.3 81.4 22.7
1419.8 86.3 16.7
1466.1 69.9 36.7
1741.9 44.6 67.7
2855.0 35.8 78.4
2926.4 18.1 100.0
3007.4 80.6 23.7
3192.6 89.3 13.0
3289.0 77.8 27.1
3372.0 70.2 36.4
198
Glycerol monooleate
Í.4E5
e. IES
5.1E5
5.4E5
5.1E5
4.8E5
4.5E5
4.2E5
3.8E5
3.5E5
i3.2E5
.2. 9E5
2.6E5
2.2E5
1.9E5
1.6E5
1.3K5
.9.6E4
6.4E4
185 239 I 3.2E4
140 lèo 180 200 220 '240

240 260
260 280
Jn320 ' 340 ' 360
300
-O.OE0
Sïo400 M/Z
43 56.4 98 56.5
55 1 00.0 109 18.0
56 25.6 111 20.2
57 60.4 112 21.0
69 61.6 129 34.9
71 23.5 137 15.0
81 47.8 213 10.7
83 40.4 264 29.4
96 28.0 264 18.2
97 39.8 339 16.7
Scan Range 40-1000
f PMn° Ì f CAS n" ^ Name
L 56960 J ^25496-72-4 J GLYCEROL MONOOLEATE
} Solvent
SF
SI
CD CL3
250.13
16384
SW 3125
NS 60
111 I I 1 I I IT"I I ι ι ι ι ι ι ι ι ι r I I 1 [ I 1 ι ι ι ι ι ι ι ι I I I I
3 2 1 0
(ppm)
VO
VO
200
Glycerol monostearate
y^2 u υ -17Π35
C H - -OH
CH 2 - —OH
CAS No. -31566-31-1

PM Ref. No. - 57520
Restrictions - None
Formula - C21H42O4
Alternative names Glycerol, 1-monooctadecanoate
Physical Characteristics White micro beads, mp approx. 69°C.

Soluble in alcohol, hexane, ether.

Safety Low toxicity.

GC Retention time 46.5 and 49.6 min.
Note Also known as PM Ref. No. 18115.

105.000
84.000
63.000
42.000
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm -1
Name : GLYCEROL MONOSTEARATE
PM Nr : 57520 CAS Nr : 31566-31 -1

K B r pellet
to
o
202
CAS No. 31566-31-1 PM Ref. No. 57520
GLYCEROL MONOSTEARATE

434.0 93.4 6.8
582.6 91.3 9.0
632.7 84.3 16.1
661.7 80.2 20.3
721.5 52.6 48.7
943.3 67.4 33.5
991.5 62.5 38.6
1047.5 35.3 66.5
1062.9 46.9 54.5
1105.4 48.6 52.8
1180.6 19.0 83.2
1196.0 31.8 70.1
1215.3 46.9 54.5
1236.5 57.0 44.2
1255.8 53.6 47.7
1267.4 61.6 39.5
1275.1 60.3 40.8
1292.5 61.70 39.3
1331.0 69.71 31.1
1394.7 47.65 53.8
1417.9 51.38 50.0
1469.9 27.25 74.7
1730.4 12.92 89.5
2851.1 6.64 95.9
2916.7 2.67 100.0
3246.6 31.54 70.3
203
Glycerol monostearate
ISoX _3.9E5
95. .3.7E5
90- .3.5E5
65. .3.3E5
BO. L3.1E5
75. ^2.9E5
70. 2.7E5
65. L2.5E5
60. L2.3E5
55. L2.1E5
50. L1.9E5
45. L1.8E5
40. 11.6E5
35. 1.1.4E5
30 .1.2ES
25j .9.7E4
20 .7.8E4
15 . 5 . 8E4
10 .3.9E4
134
143 I .1.9E4
L
M Uállii, ,*,!.>,il M . l i . . ¿ . L A l , 1 , { , , . , , , ι , . , . , , , , , , . , , , ° OEO
40 60
•w
00 100 1 22 0 140 160 180 200 220 240 260 280 300 320 340 360 380 400 Μ/Ζ
43 100.0 97 24.7
44 11.1 98 76.2
55 62.0 99 12.0
57 79.3 111 20.4
69 29.0 112 23.87
71 30.8 116 17.9
73 23.6 129 37.2
74 35.6 134 27.5
84 40.4 239 15.4
95 14.7 267 19.7
Scan Range 40-1000
SJ
o
4^
] ] f Solvent Λ
PMn° CASn" Name
57520 31566-31-1 GLYCEROL MONOSTEARATE CDCL3
SF 250.13
SI 16384
SW 2380
^
32
)
J ~T—ι—ι—ι—ι—ι—ι—ι—ι—ι—ι—ι—ι—ι—ι—f
Λ AJLA
Ι I I I 1T T T T - f ì Γ1 I I I I I ι ι ι Ι I I I I I I 1 ι ι Ι ι ι ι ι ι ι ι ι ι ι I I I I 1 ι ι ι ι ι I I I I I I ι ι ι ι ι ι ι ι ι ι ι ι ι ι I I I I
W')
205
Glycerol triacetate
O
il
O CH 2 —O—C—CH 3
CH 3 —C—O—CH O
CH 2 —O—C—CH 3
CAS No. - 00102-76-1

PM Ref. No. - 57760
Restrictions - None
Formula - C9H1406
Alternative names - Tri acetin
Physical Characteristics - Colourless liquid, mp -78°C, bp 258 - 260°C.

Handling
Availability
Current uses
Applications - Lubricant, carrier.
- General use.
INJ
o
c*
105.000
84.000
63.000
Í5 42.000 _
21.000 _
0.000
4000.00 3280.00 2560.00
Name : GLYCEROL TRIACETATE
PM Nr : 57760 CAS Nr: 00102-76-1

KBr pellet
207
CAS No. 00102-76-1 PM Ref. No. 57760
GLYCEROL TRIACETATE

416.7 84.6 15.7
430.2 70.8 29.8
457.2 75.3 25.2
605.7 66.8 33.9
688.7 82.7 17.7
748.5 87.7 12.5
844.9 76.4 24.1
962.6 68.9 31.7
1018.5 43.7 57.3
1051.3 19.1 82.5
1101.5 61.2 39.6
1221.1 1.8 100.0
1373.5 21.1 80.4
1439.1 69.0 31.6
1477.7 85.2 15.1
1684.1 43.3 57.7
1743.9 3.9 97.9
2843.4 81.5 18.9
2901.3 75.2 25.2
3476.2 88.9 11.3
208
Glycerol triacetate
43
80
20 103
29 45 61 73 86 98 146 158
Γ I
ni,,. , ,,.! "T~
50
τ 200
100
27 1.1 73 2.6
29 1.4 74 2.2
42 2.9 86 3.5
43 I100.0 103 15.8
44 3.8 115 4.6
56 0.9 116 6.7
57 1.4 145 11.8
61 1.9 146 0.7

Scan Range 25-250
PMn°
57760
CAS n"
00102-76-1
κ Name
GLYCEROLTRIACETATE
] Solvent
SF
SI
SW
CDCLj
250.13
16384
3125
NS 32
' ' I '

ί I ! I I IT"
L^
-î_J
-i I r ι ι ι i i I T I | ι ι i
(ppm)
io
o
VO
210
1,6-Hexamethylene bis(3-(3,5-di-tert-butyI -4-hydroxyphenyl)propionamide)
tert. Butyl
2—CH2—C—NH-(^CH2-)- -
tert. Butyl
CAS No. - 23128-74-7

PM Ref. No. - 59120
Formula - C 40 H M N 2 O 4
Alternative names Ν, N '-hexamethylene bis(3,5-di-tert-butyl-

4-hydroxy-hydrocinnamide
Physical Characteristics White crystalline powder, mp 156 - 161 °C.

Soluble in acetone, methanol, chloroform.

Safety - Harmful.

Applications - PA, PVA, PBT, polyesters, poly acetáis.
GC Retention time
105 300
89 300 _
73 300
™ 57 300
41 300 _
25 300
4000 00 3280.00 2560 00 1840.00 1120.00 400 O
cm
Name : 1,6-HEXAMETHYLENE BIS(3-(3,5-DI-Tert-BUTYL-4-HYDROXYPHENYL)PROPIONAMIDE)
PM N r : 59120 CAS Nr:23128-74-7

KBr pellet
to
212
CAS No. 23128-74-7 PM Ref. No. 59120
1,6-HEXAMETHYLENE BIS(3-(3,5-DI-tert-BUTYL-4-
HYDROXYPHENYL)PROPIONAMIDE)
410,9 85,2 20,8
468,8 91,3 12,2
493,8 72,2 39,1
569,1 89,9 14,2
603,8 87,8 17,2
621,2 88,7 15,9
661,7 87,3 17,9
704,1 83,3 23,5
769,7 78,1 30,8
806,3 87,3 17,9
875,8 78,1 30,8
889,3 83,3 23,5
1026,3 89,3 15,0
1120,8 52,2 67,2
1155,5 69,2 43,3
1180,6 66,8 46,7
1215,3 49,6 70,9
1234,6 44,2 78,5
1259,7 63,1 51,9
1290,5 75,4 34,6
1302,1 72,4 38,8
1321,4 75,7 34,2
1358,1 52,4 66,9
1390,9 71,9 39,5
1435,2 37,1 88,4
1454,5 50,5 69,6
1564,5 35,9 90,1
1620,4 29,0 99,8
1632,0 28,9 100,0
1657,1 47,7 73,5
2860,8 54,8 63,6
2932,2 36,5 89,3
2957,2 34,7 91,8
3096,1 77,4 31,8
3283,2 45,5 76,6
3570,7 72,1 39,2
213
1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide)
Πίδ) ΠΙ1
95. .1.217
90_ .1.2E7
95. .1. 1B7
βο_ .1.1E7
75. .9. » 6
70, .9.216
ÍS. 8.5E6
60. . 7.9E6
55_ .7.2«
50. .6. SEE
45_ .5.SEG
40. .5.316
35. 4.6E6
3.9E6
.3.318
2.6EG
.2. OK6
1.3«
.6.SE5
' 1 ■ '■ ■ ■'! ' ■'■ Ί I A -^--O.OEO

450 500 550 600 650
^¡T 7 0 ■/
M/Z I on Intensity (%) M/Z Ion I ntensity (%)
41 35.0 109 11.0

43 1 00.0 123 14.1
44 18.4 149 11.7
55 21.5 203 14.7
57 39.3 219 14.1
69 22.1 259 11.0
83 16.0 321 11.7
85 14.1 580 19.6
98 12.9 636 38.0
100 18.4 637 17.2
Scan Range 40-1000
ΓρΜη°| ( CAS n° ^ Name
{ 59120 J [23128-74-7 ': 1,6-HEXAMETHYLENE BIS(3-(3,5-DI-TERT-BUTYL Solvent CDCL3
4-HYDROXYPHENYL)PROPIONAMIDE) SF 250.13
4 SI 16384
SW 3125
32
NS
J
τ τ η ι m p-i ι τ ι ΓΤ-ΓΤΤΓ I I I I I ( I | 1
1
■ Ι I I I I I 1 "I " I 1 I I 1 I I I I I' I I' I" 1 I I I I
1 0
(ppm)
215
1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
tert. Butyl
CH 2 —CH 2 —C—O—(CH27--
tert. Butyl
CAS No. - 35074-77-2

PM Ref. No. - 59200
Formula - C40H62O6
Alternative names - Benzenepropanoic acid, 3,5-bis(l,l-di-methyl-

ethyl)-4-hydroxy-l ,6-hexanediyl ester
Physical Characteristics - White crystalline powder, mp 104 - 108°C.
- Soluble in benzene, chloroform, ethyl acetate.

Handling
- Store at room temperature.
Safety
Availability
Current uses
- Polyacetals.
to
as
105 300
8B DOO
(fVfi
71 DOO
Í5 54 DOO
37 DOO
20 DOO r
r
4000 00 3230 CO 2560 00 1840.00 1120.00 400 C
cm
Name : 1,6-HEXAMETHYLENE BlS(3-(3,5-DI-Tert-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
PM Nr : 59200 CAS Nr : 35074-77-2

KBr pellet
217
CAS No. 35074-77-2 PM Ref. No. 59200
1,6-HEXAMETHYLENE BIS(3-(3,5-DI-tert-BUTYL-4-
HYDROXYPHENYL)PROPIONATE)
414,8 85,1 19,2
495,8 89,4 13,7
767,8 75,9 31,1
802,5 88,0 15,5
871,9 68,4 40,7
889,3 79,4 26,6
981,9 72,0 36,1
1028,2 81,8 23,5
1066,8 81,3 24,1
1122,7 57,7 54,5
1167,1 23,3 98,9
1205,7 38,1 79,8
1234,6 41,2 75,8
1313,7 48,9 65,9
1369,6 46,9 68,4
1392,8 62,2 48,7
1437,1 33,2 86,1
1471,9 55,0 58,0
1732,3 23,4 98,7
2868,5 49,3 65,4
2916,7 42,7 73,9
2959,2 22,4 100,0
3464,6 80,9 24,6
3640,1 53,6 59,8
218
l,6-Hexamethylenebis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
322 37ê
il,I,4¿0,,Ι, Λ
45θ' SÒO 550 6¿0
Μ/Ζ Ion Intensity (%) M/Z Ion Intensity (%
41 59.5 259 42.9

43 71.8 260 33.7
55 71.8 305 49.7
57 100.0 322 54.8
83 39.9 378 54.6
147 60.1 470 55.2
163 40.5 526 42.9
189 33.7 638 62.6
203 82.2 639 31.1
219 92.0 640 7.5
Scan Range 40-1000
PMn°
59200
CASn°
35074-77-2
D Name
1,6-HEXAMETHYLENE BIS(3-(3,5-DI-TERT-
BUTYL-4-HYDROXYPHENYL) PROPIONATE))
Solvent
SF
SI
CDCL3
250.13
16384
SW 3125
NS 16
JZLI
" Γ Τ Τ Ί Γ-Γ T~|- I 1 I I I
7
J
Τ ι ι ι ι ι ι ι ι ι I ι ι ι Γ
L
Ι I 1 I I I I I I' 1 | I I ' I I I
0
(ppm)
IO
KD
220
4-Hydroxybenzoic acid, methyl ester
OH
C—O—CH3
II
O
CAS No. - 00099-76-3

PM Ref. No. - 60200
Restrictions - None
Formula - C8H803
Alternative names - Methylparaben
Physical Characteristics - White needles, mp 131 °C,

bp 270 - 280°C decomposes.
- Soluble in alcohol, acetone, ether.

Safety
Current uses - Preservative.

Applications - Antioxidant, paper.

125.000
100.000
~*-*>^fr^Kt*>'
75.000
¡5 50.000
25.000
0.000
I I
4000.85 3280.54 2560.24 1839.93 1119.62 399.3
cm
Name : 4-HYDROXYBENZOIC ACID, METHYL ESTER
PM Nr : 60200 CAS Nr : 00099-76-3

KBr pellet
io
to
222
CAS No. 00099-76-3 PM Ref. No. 60200
4-HYDROXYBENZOIC ACID METHYL ESTER

420.5 74.4 26.1
497.7 74.6 25.8
509.3 67.7 32.8
617.3 50.2 50.7
638.5 58.6 42.1
671.3 54.4 46.4
698.3 39.2 61.8
771.6 26.6 74.7
850.7 39.3 61.8
956.8 43.6 57.3
1008.9 74.1 26.4
1107.3 27.6 73.6
1118.9 27.1 74.2
1163.2 9.4 92.2
1194.1 21.6 79.8
1234.6 6.8 94.8
1279.0 1.7 100.0
1315.6 6.1 95.5
1379.3 47.0 53.9
1435.2 14.5 87.0
1514.3 17.5 83.9
1589.5 7.6 94.0
1606.9 8.7 92.9
1680.2 5.0 96.7
2459.5 85.2 15.0
2459.5 85.2 15.0
2515.5 86.1 14.2
2681.4 80.8 19.6
2810.6 78.1 22.3
2899.4 77.0 23.4
2965.0 56.2 44.6
3034.4 63.5 37.1
3078.8 64.5 36.2
3194.5 37.2 63.9
3292.9 15.1 86.4
223
4-Hydroxybenzoic acid, methyl ester
BO -
60
10 -
65 93
I
53 62 77 80 92 120 123
+4 Γ Γ ' I '
40 100 140
38 2.2 92 1.6
39 10.1 93 17.8
50 1.2 94 1.1
53 2.2 121 100.0
62 1.7 122 7.3
63 4.5 123 1.0
64 2.3 151 2.0
65 15.3 152 41.0
66 1.5 153 3.16

Scan Range 25-450
to
to
Γ ΡΜη° Ì f CASη° "| y

^ 60200 J [ 00099-76-3 J
Name
4HYDROXYBENZOIC ACID, METHYL ESTER
Λ
Solvent CDCL3
) SF 250.13
SI 16384
SW 3125
NS 32
J
—I. I Κ
(ppm)
225
2-(2-Hydroxy-3,5-bis(l, l-dimethylbenzyl)phenyl)benzotriazole
CAS No. - 70321-86-7

PM Ref. No. - 60320
Restrictions -SML = 1.5mg/ki
Formula - C30H29N3O
Alternative names - 2-(2H-benzotriazol-2-yl)-4,6-bis( 1 -methyl-

1 -phenylethyl)phenol
Physical Characteristics - Slightly yellow powder, mp 137 - 141 °C.

- Soluble in benzene, chloroform, dichloro-
methane.

Safety

Applications - PC, polyesters.

to
to
105.DOO
92 DOO _
79 DOO
66 DOO
53 DOO
40 300
4000 00 3280 00
Name:2-(2-HYDROXY-3,5-BIS(l,l-DIMETHYLBENZYL)PHENYL)BENZOTRIAZOLE
PM Nr : 60320 CAS Nr:70321-86-7

KBr pellet
227
CAS No. 70321-86-7 PM Ref. No. 60320
2-(2-HYDROXY-3,5-BIS(1,1-
DIMETHYLBENZYL)PHENYL)BENZOTRIAZOLE
410,9 85,7 25,5
445,6 84,2 28,2
538,2 87,6 22,1
580,6 82,2 31,7
613,4 88,5 20,5
626,9 88,7 20,1
652,0 86,5 24,1
671,3 75,6 43,5
702,2 43,9 100,0
750,4 51,7 86,1
767,8 65,5 61,5
796,7 77,6 39,9
852,6 88,4 20,7
870,0 85,8 25,3
887,4 82,6 31,0
976,1 89,9 18,0
1030,1 81,0 33,9
1074,5 88,2 21,0
1103,4 84,5 27,6
1126,6 86,6 23,9
1145,9 82,6 31,0
1186,4 83,7 29,0
1215,3 73,7 46,9
1253,9 75,0 44,6
1304,0 73,3 47,6
1348,4 78,3 38,7
1387,0 82,9 30,5
1402,4 80,4 34,9
1425,6 78,3 38,7
1435,2 60,3 70,7
1495,0 64,8 62,7
1599,2 81,1 33,7
2916,7 80,2 35,3
2965,0 62,5 66,8
3019,0 80,6 34,6
3055,6 78,8 37,8
228
2-(2-Hydroxy-3,5-bis( 1,1 -dimethylbenzyl)phenyl)benzotriazole
432
100 η
80
60
91 119
40
103
41 356
Γ
77 165
ι
65 1.28 1178 208 252 328 370
Ι ι
"Γ ί>ί ,ΜΙ ίθπΓ[ ,' ',
100 200 300 τ-
400
Μ/Ζ Ion Intensity (%) Μ/Ζ Ion Intensity (%)
41 14.6 120 6.4

65 3.3 342 29.9
77 6.7 356 17.2
91 49.1 432 100.0
92 20.3 433 25.1
103 18.1 447 90.7
105 5.7 448 23.5
119 49.3 449 2.5

Scan Range 35-500
] Λ
S"
PMn° ^1 f CAS n° "l Name
60320 J [ 70321-86-7 2-(2-HYDROXY-3,5-BIS( 1,1 -DIMETHYLBENZYL) Solvent CDCL3
PHENYL ) BENZOTRIAZOLE SF 250.13
SI 16384
sw 3125
J
NS 64
Jvvl J i
ΤΤΤΤΓΤΤΙ ~t ~\ 1 I I I I I 1 I I | I I I T I I I I I I I l"l ι ι ι ι ι ι ι I I I I I I I I I I " I ' ι '
0
(ppm) to
to
so
230
2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole
tert. Butyl
CAS No. 03896-11-5

PM Ref. No. 60400
Restrictions SML = 30 mg/kg with other
benzotriazole derivatives
Formula C17H18C1N30
Molecular weight 315.5
Alternative names 2-(3 '-tert-Butyl-2 ' -hydroxy-5 ' -methylphenol)-

Physical Characteristics Slightly yellow powder, mp 138 - 141 °C.

Soluble in benzene, toluene, cyclohexane.

Safety


105.DOO
¿S^lfl V'-'Vr''V* Vf ^'-Vv/ V \

,«~^" Oflf í'1 fi.i ,1 H
8 6 DOO ,y
6 7 DOO
S 4S DOO ■ f
29 DOO
10 DOO
r
4003 00 3 2 8 0 GO 2560 00 1840 00 1120.00 400 O
cm"
Name : 2-(2-HYDROXY-3-Tert-BUTYL-5-METHYLPHENYL) -5-CHLORO-2-BENZOTRIAZOLE
PM Nr : 60400 CAS N r : 0 3 8 9 6 - Π - 5
K B r pellet
to
232
CAS No. 03896-11-5 PM Ref. No. 60400
2-(2-HYDROXY-3-tert-BUTYL-5-METHYLPHENYL)-5-
CHLORO -2-BENZOTRIAZOLE
422,5 57,3 53,2
447,5 71,9 35,0
474,6 90,1 12,3
540,1 91,8 10,2
565,2 80,5 24,3
598,0 69,6 37,8
640,4 83,9 20,0
669,4 78,0 27,4
719,5 24,4 94,1
754,3 61,5 47,9
785,1 60,9 48,7
806,3 19,7 100,0
846,9 36,9 78,6
858,4 42,8 71,2
873,9 48,9 63,6
935,6 50,6 61,5
945,2 35,9 79,8
1008,9 84,0 19,9
1026,3 72,3 34,5
1049,4 24,7 93,7
1103,4 66,1 42,2
1136,2 59,7 50,2
1215,3 25,5 92,8
1240,4 22,3 96,7
1261,6 46,8 66,2
1292,5 31,9 84,8
1317,5 62,6 46,6
1348,4 43,8 70,0
1392,8 48,8 63,7
1448,7 27,1 90,8
1485,4 39,3 75,6
1504,7 54,5 56,6
1560,6 60,1 49,7
1601,1 65,2 43,3
1620,4 79,8 25,1
2424,8 91,0 11,2
2619,7 86,6 16,7
2702,6 84,3 19,5
2868,5 48,5 64,1
2C18.7 39,2 75,7
2961,1 26,4 91,6
2993,9 45,3 68,1
233
2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole
100
80
315
119
I 272
91
126
41 I 147
53 90 160 175 194 207
230
50
U100 IL**,
200
41 10.1 272 21.7

53 3.5 274 8.7
65 6.0 300 100.0
77 10.6 301 18.9
91 15.9 302 31.7
105 7.8 315 54.0
117 8.3 316 10.6
119 24.8 317 18.6
126 11.1 318 2.9

Scan Range 35-400
to
LU
]
PMn° CASn° Name
60400 03896-11-5 2-(2-HYDROXY-3-TERT-BUTYL-5- METHYLPHENYL) Solvent CDCLj
-5-CHL0R0BENZ0TRIAZ0LE SF 250.13
SI 16384
SW 3125
NS 16
-J
Ι ι ι ■ I'll'
8 0
(ppm)
235
l-(2-Hydroxyethyl)-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid,

dimethyl ester, copolymer
CH3
—CH3 O O
il il
N — C H 2 - -CH, -O—C—CH2—CH2—C+O—CH3
—CH3
CH 3
CAS No. - 65447-77-0

PM Ref. No. - 60800
Restrictions - SML = 30 mg/kg Specifications to be added.
Formula - [C 31 H 54 N 2 0 9 ] n
Molecular weight - 1500 - 5000
Alternative names Butanedionic acid, polymer with 4-hydroxy-

2,2,6,6-tertamethy 1-1 -piperidineethanol
Physical Characteristics Slightly yellow powder, mp 100 - 120°C.

Soluble in benzene, chloroform, toluene,
dichloromethane.

Safety Harmful.

Applications EVA, PP, PE.
GC Retention time
Note Also known as CAS No. 70198-29-7, and

PMRef. No. 81215, and 91150.
to
LO
σν
105.000
92.000 _
79.000
66.000
53.000
40.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name ACID
DIM1?H?LF^^^ '
PM Nr : 60800 CAS Nr : 65447-77-0
K B r pellet
237
CAS No. 65447-77-0 PM Ref. No. 60800
1-(2-HYDROXYETHYL)-4-HYDROXY-2,2,6,6-
TETRAMETHYLPIPERIDINE-SUCCINIC ACID, DIMETHYL
ESTER, COPOLYMER (M.W. 1500-5000)
445,6 90,6 18,3
474,6 92,0 15,5
493,8 87,7 23,9
563,3 75,5 47,6
665,5 87,8 23,7
758,1 88,8 21,8
839,1 74,8 49,0
877,7 87,1 25,1
920,2 88,4 22,5
956,8 65,5 67,0
981,9 63,9 70,1
999,3 62,7 72,5
1028,2 70,8 56,7
1116,9 69,9 58,5
1155,5 54,5 88,4
1257,7 57,9 81,8
1317,5 61,9 74,0
1365,8 57,2 83,2
1385,1 58,4 80,8
1468,0 63,6 70,7
1732,3 48,5 100,0
2945,7 48,8 99,5
3453,0 72,8 52,8
to
LO
00
ί PMn° "k f CASηβ

[ 60800 J [ 65447-77-0
"|
J
Name
l-(2-HYDROXYETHYL)-4-HYDROXY-2,2,6,6- TETRAMETHYL
rSolvent CDCL
Λ
PIPERIDINE-SUCCINIC ACID, DIMETHYL ESTER COPOLYMER SF 250.133
SI 16384
SW 3125
J
l NS 17
( pprrn
239
2-Hydroxy-4-methoxybenzophenone
O—CH3
CAS No. 00131-57-7

PM Ref. No. 61360
Formula C14H1203
Alternative names - Oxybenzone
Physical Characteristics - White crystalline powder, mp 63 - 65°C,

bp 150 - 160°C (5 mm Hg).

Safety


to
O
105.000
86.000
67.000 _
ra 48.000
29.000
10.000
4000.00 3284.00 2568.00
Name :2-HYDROXY-4-METHOXYBENZOPHENONE
PM Nr : 61360 CAS Nr : 00131-57-7

K B r pellet
241
CAS No. 00131-57-7 PM Ref. No. 61360
2-HYDROXY-4-METHOXYBENZOPHENONE

461.0 69.2 36.2
532.4 69.0 36.4
599.9 43.0 67.1
682.9 43.1 66.9
698.3 36.0 75.3
708.0 28.0 84.8
733.0 58.4 48.9
750.4 40.2 70.4
789.0 41.6 68.8
817.9 29.0 83.5
914.4 34.5 77.0
945.2 51.7 56.8
964.5 51.5 57.1
1026.3 34.6 76.9
1074.5 40.6 69.9
1113.1 30.3 82.0
1163.2 37.4 73.6
1178.7 38.8 72.0
1205.7 27.3 85.5
1225.0 21.7 92.1
1259.7 15.0 100.0
1304.0 43.3 66.7
1348.4 23.4 90.1
1381.2 30.6 81.7
1435.2 30.5 81.8
1444.9 29.5 83.0
1489.2 43.0 67.0
1506.6 31.1 81.0
1574.1 23.7 89.8
1595.3 17.5 97.0
1633.9 85.8 16.7
2947.6 84.4 18.3
2995.8 84.4 18.4
3017.0 85.6 17.0
3061.4 89.0 12.9
242
2-Hydroxy-4-methoxybenzophenone
100 η
40
20
128
69 115 152
41 89 129 IJJ 157 168 184 197 211
MLU ι I,il
L ■ ■Il . ,!. . j...
41 3.8 105 21.3

50 8.1 108 19.2
51 27.2 128 9.2
52 11.3 151 92.5
53 8.1 152 8.3
77 52.9 227 100.0
79 9.0 228 68.8
95 15.5 229 8.8

Scan Range 40-500
J
s·
Γ PM η° ^ Γ CAS η° ^ Name
[^ 61360 J [ 00131-57-7 2-HYDROXY-4-METHOXYBENZOPHENONE SF 250.1
SI 8192
sw 2380
NS 32
to
LO
244
2-(2-Hydroxy-5-methylphenyl)benzotriazoIe
CAS No. - 02440-22-4

PM Ref. No. - 61440
Restrictions - SML = 30 mg/kg with other
benzotriazole derivatives
Formula - C13H11N30
Alternative names
Physical Characteristics - Light yellow crystalline powder,

mp 128 - 132°C.
- Soluble in benzene, toluene, acetone,
chloroform.

Safety
Current uses - UV-absorber.


105 000
88.000
71.000
54.000
37.000
20.000 I 1 1
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : 2-(2-HYDROXY-5-METHYLPHENYL)BENZOTRIAZOLE
PM Nr : 61440 CAS Nr : 02440-22-4

KBr pellet
to
-fc.
Lfi
246
CAS No. 02440-22-4 PM Ref. No. 61440
2-(2-HYDROXY-5-METHYLPHENYL)BENZOTRIAZOLE

439.8 75.3 32.3
472.6 54.9 58.8
561.4 63.3 47.9
580.6 72.0 36.5
628.9 62.0 49.6
661.7 43.0 74.4
688.7 36.6 82.8
713.8 69.4 40.0
748.5 23.4 100.0
769.7 54.4 59.6
800.6 45.9 70.6
817.9 36.9 82.4
873.9 71.6 37.1
897.0 62.2 49.3
922.1 74.9 32.8
939.5 78.7 27.8
953.0 75.8 31.7
974.2 54.8 59.0
991.5 83.1 22.1
1039.8 78.8 27.6
1070.6 68.7 40.6
1132.4 47.3 68.8
1145.9 62.8 48.6
1211.4 26.6 95.9
1223.0 33.6 86.8
1252.0 29.7 91.8
1275.1 64.5 46.4
1304.0 39.0 79.6
1338.8 50.9 64.1
1348.4 62.6 48.8
1392.8 62.2 49.3
1421.7 57.9 55.0
1446.8 61.2 50.7
1473.8 60.3 51.8
1514.3 26.1 96.5
1564.5 68.3 41.4
1578.0 80.2 25.8
1599.2 52.8 61.6
1628.1 87.8 15.9
1738.1 90.9 11.9
1799.8 90.4 12.5
1880.8 91.0 11.7
2858.9 88.2 15.3
2922.5 80.1 26.0
3024.8 75.5 32.0
3065.3 68.3 41.4
3096.1 69.5 39.8
247
2-(2-Hydroxy-5-methylphenyl)benzotriazole
80 -
39 51 207
I 196 I 224_
16
I
50_ 71 94 11,3 120 141 .7—. 208
¡X, i.-. ■ i». Ί. Ί ,
-r—j I — L — 1
■ ■ I '
100 150
39 9.1 154 7.6

51 8.3 168 9.0
65 12.8 225 100.0
66 14.7 226 14.4
93 21.5 227 1.0

Scan Range 25-300
to
-ρ.
fpMn" ^
l 61440 J
( CAS n°
(02440-22-4
^ Name
2-(2-HYDROXY-5-METHYLPHENYL)BENZOTRIAZOL ] Solvent
SF
SI
CDCLj
250.13
16384
sw 32
3125
NS
J
I I I | I I I I' l'I
(ppm)
249
2-Hydroxy-4-n-octyloxybenzophenone
O — C R8H
^17
CAS No. 01843-05-6

PM Ref. No. 61600
Formula C
21 H 26°3
Alternative names - Octabenzone

Methanone, (2-hydroxy-4-(octyloxy)-phenyl)
phenyl-
Physical Characteristics - Pale yellow powder, mp 45 - 46°C.

- Soluble in alcohol, benzene.

Safety -


to
O
105.000
88.000
71.000
¡õ 54.000
37.000 _
20.000
1 I
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
-1
cm
Name : 2-HYDROXY-4-n-OCTYLOXYBENZOPHENONE
PM Nr : 61600 CAS Nr : 01843-05-6

KBr pellet
251
CAS No. 01843-05-6 PM Ref. No. 61600
2-HYDROXY-4-n-OCTYLOXYBENZOPHENONE

407.0 92.5 9.9
464.9 85.0 19.8
518.9 94.6 7.1
536.3 78.0 29.0
603.8 91.2 11.7
628.9 51.4 64.1
652.0 94.8 6.8
698.3 38.2 81.5
725.3 87.0 17.1
738.8 76.5 31.1
781.3 64.8 46.4
806.3 54.6 59.9
833.4 73.2 35.3
854.6 67.6 42.8
920.2 72.8 36.0
933.7 63.9 47.6
978.0 69.9 39.8
1020.5 69.0 41.0
1041.7 90.3 12.8
1074.5 87.1 17.1
1120.8 51.3 64.3
1169.0 79.9 26.5
1197.9 52.6 62.6
1226.9 51.5 64.0
1267.4 24.2 100.0
1352.3 38.3 81.5
1379.3 52.2 63.1
1406.3 79.5 27.1
1419.8 80.5 25.7
1444.9 73.1 35.5
1471.9 71.3 37.9
1496.9 71.3 37.8
1576.0 42.3 76.1
1597.3 33.8 87.4
1630.1 28.9 93.9
2920.6 42.9 75.4
2955.3 53.2 61.8
3055.6 89.6 13.7
252
2-Hydroxy-4-n-octyloxybenzophenone
41 41.4 136 5.6

43 38.4 137 47.5
55 14.9 185 6.0
57 10.1 197 7.0
69 6.9 213 100.0
77 26.5 214 41.7
105 42.7 215 7.3
107 7.4 325 15.5
108 7.0 326 31.1
128 8.9 327 5.8

Scan Range 40-500
PMn°
61600
CASn°
01843-05-6
i Name
2-HYDROXY-4-n-OCTYLOXYBENZOPHENONE
)
Solvent
SF
SI
CDCLj
250.13
16384
SW 4504
NS 32
1.5 8.0 7.5 7.0. 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
to
L/l
LU
254
2.2'-Methylenebis(4-ethyI-6-tert-butylphenol)
C2H5
tert. Butyl OH HO tert. Butyl
CAS No. 00088-24-4

PM Ref. No. 66400
Restrictions SML = 1.5 mg/kg With PM Ref. No. 66480
Formula C
25 H 36°2
Alternative names Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)

methane
Physical Characteristics White powder, mp 119 - 122°C.

Soluble in acetone, benzene, alcohol,
chloroform.

Safety


105.000
91.000 _
77.000
63.000
49.000
35.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : 2,2'-METHYLENEBIS(4-ETHYL-6-TERT-BUTYLPHENOL)
PM Nr : 66400 CAS Nr : 0088-24-4

K B r pellet
to
L*
(-ΛΙ
256
CAS No. 00088-24-4 PM Ref. No. 66400
2,2'-METHYLENEBIS(4-ETHYL-6-TERT-BUTYLPHENOL)

418.6 71.7 48.0
760.1 89.5 17.8
798.6 86.5 22.9
881.6 71.6 48.1
1147.8 89.4 17.9
1178.7 58.5 70.2
1199.9 71.8 47.7
1225.0 71.2 48.8
1252.0 81.1 32.0
1288.6 86.5 22.9
1323.3 78.7 36.1
1363.8 81.1 32.1
1394.7 89.6 17.6
1427.5 78.6 36.3
1458.4 67.4 55.1
1471.9 61.8 64.6
2930.2 66.5 56.8
2961.1 41.1 99.7
3530.2 40.9 100.0
257
2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
163
40
141
Γ
155
50
liΤ
100
Τ
150
256
,-τγ-Γ-
250
297
i
57 18.6 191 100.0

135 20.5 192 13.5
141 14.7 256 2.6
163 41.1 312 13.6
175 58.1 368 36.2
178 68.0 369 9.3

Scan Range 25-400
to
oo
PMn° "^
66400 1
( CAS n°
^ 00088-24-4
^
J
Name
2,2'-METHYLENEBIS(4-ETHYL-6-TERT-BUTYLPHENOL)
)
Solvent Λ
SF CDCL3
SI 250.13
16384
sw 3125
J
l NS 32
iL IA
I I I I I I T"»~ ι ι ι ι ι I ι r ι ι τ ι ι ι ι I τ ι ι ι
3 o
(ppm)
259
2,2'-Methylenebis(4-methyl-6-tert-butylphenol)
tert. Butyl OH HO tert. Butyl
CAS No. 00119-47-1

PM Ref. No. 66480
Formula C23H3202
Alternative names - Di(2-hydroxy-3-tert-butyl-5-methylphenyl)

methane
Physical Characteristics - White powder, mp approx. 125°C.

Handling
Safety
Availability
Current uses
- General use.
to
Os
O
101.1 300
89 000
73 000
™ 57 000
41 000
25 000
4000 00 3280 00 2560 00 1840 00 1120.00 400 0
cm'
Name : 2,2'-METHYLENEBIS(4-METH YL-6-Tert-BUTYLPHENOL)
PM Nr : 66480 CAS Nr:00119-47-1

K B r pellet
261
CAS No. 00119-47-1 PM Ref. No. 66480
2,2'-METHYLENEBIS(4-METHYL-6-tert-BUTYLPHENOL)

418,6 86,3 19,9
453,3 90,6 13,7
474,6 87,7 17,9
520,8 90,1 14,4
555,6 87,0 18,9
582,6 79,1 30,4
619,2 87,7 17,9
760,1 79,8 29,4
775,5 82,9 24,9
802,5 78,6 31,2
858,4 76,1 34,8
868,1 67,4 47,5
897,0 88,4 16,9
910,5 86,4 19,8
927,9 86,6 19,5
1024,3 87,7 17,9
1115,0 81,8 26,5
1130,4 68,0 46,6
1155,5 71,1 42,1
1192,2 68,3 46,2
1232,7 47,5 76,4
1257,7 72,7 39,7
1284,8 79,8 29,4
1306,0 86,2 20,1
1367,7 70,1 43,5
1388,9 72,9 39,5
1400,5 79,1 30,4
1442,9 49,6 73,4
1479,6 53,3 68,0
1597,3 91,2 12,8
2872,4 67,4 47,5
2918,7 61,4 56,2
262
2,2' -Methy lenebis(4-methy 1-6-tert-butylphenol)
177
149
340
284
I
2Ó9 265
I Γ
M XX "Τ ■ ι ■
250
■
100
41 10.1 155 18.6

57 15.5 161 63.0
91 8.4 162 10.2
105 9.3 164 56.2
121 20.7 177 100.0
127 22.3 178 14.1
133 10.0 284 11.2
141 13.0 340 34.3
149 39.5 341 7.1

Scan Range 35-450
f PM η" ^
[ 66480 J
( CAS η°
[0ΟΙΙ9-47-Ι
^
J
Name
2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYLPHENOL)
] Solvent
SF
SI
CDCL3
250.13
16384
sw 3125
NS 16
^JJ\í
[ Τ î I I I 1 I I 1 l'I Τ 1 Ι Γ Τ Γ Ι Ί ' Γ I I I I 1 Τ T T r y ι ι ι ι ι ι ι ι ι ι ι ι τ ι ι ι ι ι ι Ί 'Γ ΓΤ I 1 I I 1 ι ι 1 -ι π ι ι 1 ι ι ι ι 1 » r ι ι 1 ι ι ι Ï ι ι ι ι ι ι ι ι~
S 7 6 b 4 3 2 1 0
(ppm)
to
as
LO
264
2,2'-Methylenebis(4-methyl-6-cyclohexylphenol)
CAS No. 04066-02-8

PM Ref. No. 66560
Formula C
27H3602
Alternative names Bis(2-hydroxy-3-cyclohexyl-5-methyl-

phenyl)methane
Physical Characteristics White powder, mp approx. 125°C.

Soluble in acetone, alcohol, ethyl acetate.

Safety

Applications Styrene co-polymers, rubber.

105 000
***~S\
\
300
71 000
54 000
37 000
20 000 τ 1
4000 00 3280.00 2560 00 1840 00 1120.00 400 0
cm
Name:2,2'-METHYLENEBIS(4-METHYL-6-CYCLOHEXYLPHENOL)
PM Nr:66560 CAS Nr : 04066-02-8

K B r pellet
to
as
LA
266
CAS No. 04066-02-8 PM Ref. No. 66560
2,2'-METHYLENEBIS(4-METHYL-6-
CYCLOHEXYLPHENOL)
410,9 77,7 31,1
439,8 93,5 9,1
468,8 91,4 12,0
540,1 88,7 15,8
572,9 84,0 22,3
605,7 81,0 26,5
767,8 88,5 16,1
783,2 85,4 20,4
852,6 83,9 22,5
860,4 78,7 29,7
1124,6 73,2 37,4
1153,6 71,4 39,9
1188,3 53,6 64,8
1230,7 65,6 48,0
1265,5 77,5 31,4
1358,1 82,6 24,3
1450,7 57,7 59,1
147.5,7 45,9 75,5
2853,1 48,2 72,3
2922,5 28,4 100,0
3350,8 63,0 51,7
3491,6 56,1 61,3
267
2,2' -Methylenebis(4-methyl-6-cyclohexylphenol)
121
ι
147
105
I 159 207
59 I 173 Γ : 281
4 * ÌLI UM 200
ι ι
55 16.6 190 100.0

91 8.1 191 8.3
105 10.2 203 93.6
121 33.3 204 12.9
133 21.3 310 6.8
134 14.1 392 60.6
135 9.7 393 14.8
147 16.7

Scan Range 35-500
to
as
ÍPMn° "I ( CAS η" ì Name s Λ

[ 66560 J [ 04066-02-8 J 2,2^METHYLFJNEBIS(4-METHYL-6-CYCLOHEXYLPHENOL) Solvent CDCLj
) SF 250.13
SI 16384
SW 3125
NS 12
J
JLJ
(ppm!
269
Monochlorobenzene
CAS No. - 00108-90-7

PM Ref. No. - 67280
Formula - C6H5C1
Alternative names - Chlorobenzene
Physical Characteristics - Colourless liquid, mp - 45°C

- Soluble in alcohol, benzene, et
Handling; - Store at room temperature.

Safety - Harmful.
Current uses - Solvent.

Applications - PC, PSO.

to
-J
o
105.000
86.000 ^^γ^^-ψ^ |#u(1A |ί\
1
1
67.000
I
Ì3 48.000 _
29.000 _
10.000 ι ι ι 1
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : MONOCHLOROBENZENE
PM Nr : 67280 CAS Nr:00108-90-7

K B r pellet
271
CAS No. 00108-90-7 PM Ref. No. 67280
MONOCHLOROBENZENE

416.7 60.5 47.7
468.8 36.4 76.7
613.4 93.3 8.1
684.8 28.2 86.6
702.2 30.4 84.0
740.8 17.1 100.0
902.8 66.7 40.1
935.6 89.6 12.5
1003.1 66.5 40.4
1022.4 34.8 78.6
1068.7 50.6 59.6
1084.1 27.7 87.2
1122.7 60.8 47.3
1446.8 38.2 74.5
1477.7 19.5 97.0
1583.8 36.0 77.1
1730.4 86.9 15.7
1788.2 85.9 17.0
1863.5 82.3 21.4
1944.5 81.7 22.0
3026.7 82.1 21.6
3071.1 60.3 47.8
272
Monochlorobenzene
112
80 -
28 32 49_ 52 , 56 61 78 85 97
I I I
ι I ,'l -1
H
80
37 3.7 75 7.2
38 8.8 76 4.4
39 2.1 77 55.1
49 2.6 78 3.2
50 21.5 97 0.4
51 21.1 112 100.0
56 4.2 113 6.4
73 3.1 114 30.9
74 7.8 115 1.9

Scan Range 25-500
Γ PM η° ^
[ 67280 J
ί CAS η°
[ 00108-90-7
^ Name
MONOCHLOROBENZENE
] Solvent
SF
SI
CDCL3
Λ
250.13
16384
SW 3125
NS 32
V V
j ι ι ι r ι ι r ι ι | ■
■τ ι r ι ι ι ι ι I I Γ Τ Τ Τ Τ - Ι I r m TTTp I I ι Ί"π Γττττττττητ I ι ι ι ι ι I
8 7 5 2 1 0
(ppm) to
-o
LO
274
1-OctadecanoI
C18H37—OH
CAS No. 00112-92-5

PM Ref. No. 68225
Restrictions None
Formula C18H3S0
Alternative names - Stearyl alcohol
Physical Characteristics - White flakes or granules, mp 56 - 60°C,

bp 210°C (15 mm Hg).

Safety


105.000
IM (101)
63.000 _
42.000 _
21.000 _
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
Name : 1-OCTADECANOL
PM Nr : 68225 CAS Nr:00112-92-5

K B r pellet
to
-j
Lfl
276
CAS No. 00112-92-5 PM Ref. No. 68225
1-Octadecanol

526.6 94.6 5.5
572.9 94.1 6.0
603.8 87.9 12.4
719.5 45.1 56.2
731.1 49.6 51.6
968.4 84.3 16.1
983.8 78.1 22.4
1005.0 70.6 30.1
1024.3 63.9 36.9
1039.7 62.0 38.9
1062.9 30.9 70.7
1317.5 88.5 11.8
1333.0 85.6 14.7
1363.8 84.1 16.3
1373.5 81.1 19.3
1425.6 76.9 23.6
1464.2 27.9 73.8
1473.8 32.5 69.1
2633.2 85.9 14.4
2849.2 4.0 98.3
2918.7 2.3 100.0
2955.3 20.7 81.2
3233.1 37.1 64.4
277
1-Octadecanol
55
83
69
20
126 139
r
Γ 154 168 182 196
I
252
I
'TTT
250
41 69.2 83 77.9
43 100.0 84 23.9
55 93.1 85 18.6
56 43.7 97 59.0
57 79.9 98 13.6
67 12.6 111 32.0
68 28.2 112 8.7
69 73.6 125 13.4
71 34.5 224 1.5
82 33.4 225 0.7

Scan Range 40-500
00
3
PMn° J i CAS π° ^ Name Solvent CDCL3
68225 Ι ^ 00112-92-5 ' 1-OCTADECANOL SF 250.13
SI 16384
SW 6494
NS 8
J
7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0 5 0.0
(ppm)
279
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyI) propionate
tert. Butyl
O
il
HO CH2 CH2 C O C-18H37
tert. Butyl
CAS No. 02082-79-3

PM Ref. No. 68320
Formula C
35 H 62°3
Alternative names Benzenepropanoic acid, 3,5-bis(l,l-dimethyl-

ethyl)-4-hydroxy-, octadecyl ester
Physical Characteristics White powder or flakes, mp 51.5 - 52.5°C.

Soluble in acetone, acetic acid, benzene,
chloroform, hexane.

Safety


io
00
o
105.000
90.000 _
75.000
60.000
45.000
30.000
4000.00 3286.00 2572.00
Name .OCTADECYL 3-(3,5-DI-T E RT-BUTYL-4-HYDROXYPHENYL) PROPIONATE
PM Nr : 68320 CAS Nr : 02082-79-3

K B r pellet
281
CAS No. 02082-79-3 PM Ref. No. 68320
OCTADECYL3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)
PROPIONATE

721.5 90.4 16.1
744.6 91.3 14.7
771.6 92.5 12.7
785.1 94.4 9.5
796.7 94.5 9.3
875.8 89.1 18.4
1070.6 82.6 29.3
1122.7 71.5 48.1
1153.6 78.7 35.8
1178.7 64.3 60.2
1236.5 81.9 30.5
1277.0 63.0 62.4
1435.2 77.1 38.5
1469.9 74.3 43.3
1728.4 40.7 100.0
2851.1 58.0 70.8
2918.7 43.6 95.1
2957.2 54.73 76.3
282
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
60
6?
20
83 147
97 I 161
I
UI 189 232 278
I I I I I
U UJiJ-jJuJ
300
1
ι'
500
43 40.5 161 9.2

55 30.7 203 9.7
57 100.0 207 15.0
69 19.9 219 29.3
71 14.8 263 3.2
83 13.7 278 3.9
97 9.2 515 10.9
111 3.8 530 53.8
147 13.4 531 20.9
149 11.3 532 3.4

Scan Range 40-600
ί PMn° "k
[ 68320 J
f CAS n°
[ 02082-79-3
"|
J
Name
OCTADECYL3-(3,5-DI-tert-BUTYL-4-HYDROXYPHENYL)PROPIONATE
J
Solvent CDCL3
SF 250.13
SI 16384
SW 2380
NS 32
Ι ι I I I I
3
—i—ι ι ι—I I | I I
M ' ' I I'll
6 3 2
to
OO
LO
284
Oleamide
CH3H^CH2)-CH^CH-£cH2)--C- -NH;
CAS No. - 00301-02-0

PM Ref. No. - 68960
Restrictions - None
Formula - ClgH35NO
Alternative names - 9-Octadecenoic acid, amide
Physical Characteristics - Yellow pearls, mp 76°C, bp decom

- Soluble in alcohol, ether, toluene.

Safety -
Current uses - Antistatic agent, antiblocking agent.

GC Retention time -44.1 min.

105.000
86.000
67.000 _
S 48.000
29.000
10.000
4000.00 3280.00 2560.00
Name : OLEAMIDE
PM Nr : 68960 CAS Nr : 00301-02-0

KBr pellet
IO
oo
L/l
286
CAS No. 00301-02-0 PM Ref. No. 68960
OLEAMIDE

409.0 90.7 10.6
493.8 94.9 5.8
528.6 90.9 10.4
640.4 77.2 26.1
702.2 67.3 37.4
721.5 71.5 32.6
964.5 69.9 34.4
1412.1 54.4 52.2
1425.6 50.5 56.7
1469.9 45.9 61.9
1633.9 23.4 87.7
1659.0 25.3 85.4
2851.1 24.2 86.7
2920.6 12.6 100.0
2957.2 45.7 62.1
3362.3 30.2 79.9
287
Oleamide
60
20 -
126
112 I
140 154 168 184 238 264
Ι Ι
Uli—L ,l I' , Λ , , ι, . , Ι, . ι.
200
Μ/Ζ Ion Intensity (%) M/2 Ion Intensity (%)
41 30.5 98 7.6
43 23.4 112 8.7
44 13.8 126 10.0
55 31.5 140 3.68
59 1 00.0 154 2.8
60 11.9 168 1.3
67 10.0 184 2.0
69 15.2 238 1.7
72 60.8 264 1.4
83 8.1 281 2.7

Scan Range 35-500
to
oo
oo
f PM n° i
[ 68960 J
C CAS n°
^ 00301-02-0
"|
J
Name
OLEAMIDE
D rSolvent CDCL3
SF 250.13
SI 16384
SW 3125
v NS 32
J
r
(ppm)
u
289
Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated)
CAS No. - 08002-74-2 and 63231-60-7

PM Ref. No. -71281
hydrogenated products
Formula - C
nH2n+2
Molecular weight
Alternative names
Physical Characteristics White crystalline powder, mp 50 - 57°C.

Soluble in toluene, benzene, chloroform, ether.
Handling Store below 4°C.

Safety

Applications PS, PVC, PP, PE.
GC Retention time
to
O
105.000
84.000 _
63.000 _
™ 42.000
21.000
0.000
4000.Od 3280.00 2560.00 1840.00 1120.00 400 0
cm
Name : PARAFFIN WAXES AND HYDROCARBON WAXES MICROCRYSTALLINE
PMNr : 71281 CAS Nr : 08002-74-2

63231-60-7 KBr pellet
291
CAS No. 08002-74-2 and 63231-60-7 PM Ref. No. 71281
PARAFFIN WAXES AND HYDROCARBON WAXES

MICROCRYSTALLINE
Peak wavenum ber %T Relative intensity

719.5 50.0 52.6
729.2 53.7 48.7
1464.2 37.2 66.0
1473.8 40.6 62.5
2849.2 7.7 97.1
2916.7 4.9 100.0
2955.3 29.5 74.1
292
Hydrocarbon waxes, paraffin and macrocrystalline (hydrogenated)
600
41 14.7 97 19.3
43 34.7 99 28.0
55 18.0 111 9.3
56 12.7 113 21.3
57 96.7 127 16.7
69 19.3 141 15.3
70 13.3 155 13.3
71 1 00.0 169 14.7
83 18.7 183 13.3
85 70.0 197 10.0
Scan Range 40-1000
PMn° ^ f c A S n 0 Λ Name Solvent CDCL3
71281 J 8002-74-2 I PARAFFIN WAXES AND HYDROCARB· SF 250.13
* 63231-60-7 WAXES MICROCRYSTALLINE
4 SI
sw
16384
6494
NS 24
8.5 6.5 6.0 5.5 5.0 4.5 4.0 3.5 2.5 2.0 1.5
M
1.0 0.5 0.0
(ppm)
to
so
LO
294
Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
o
il
-CH2—C—O—CHA
CAS No. 06683-19-8

PM Ref. No. 71680
Restrictions None
Formula ^·73Η108Ο12
Alternative names - Tetrakis(methylene(3,5-di-tert-butyl-4-hydroxy-

hydrocinnate))methane

- Soluble in acetone, benzene, acetic acid,
chloroform.

Safety -
Current uses - Antioxidant and heat stabilizer.

GC Retention time -
105 300
87 DOO
69 300
ra 51 DOO
33 DOO
15 DOO _
4000 00 3280.00
Name :PENTAERYTHRITOL TETRAKlS(3-(3,5-DI-Tert-BUTYL-4-HYDROXYPHENYL) PROPIONATE)
PM Nr:71680 CAS Nr : 06683-19-8

KBr pellet
to
SO
L/l
296
CAS No. 06683-19-8 PM Ref. No. 71680
PENTAERYTHRITOLTETRAKIS(3-(3,5-DI-tert-BUTYL-4-
HYDROXYPHENYL)PROPIONATE
422,5 79,7 26,3
453,3 89,1 14,1
499,6 81,9 23,5
538,2 88,1 15,4
572,9 87,1 16,7
599,9 87,6 16,1
619,2 83,0 22,0
771,6 79,0 27,2
873,9 68,0 41,5
889,3 80,5 25,3
931,7 80,2 25,7
960,7 90,1 12,8
987,7 78,8 27,5
1045,6 71,4 37,1
1142,0 22,8 100,0
1215,3 70,3 38,5
1232,7 59,0 53,1
1277,0 60,4 51,3
1317,5 68,6 40,7
1360,0 66,4 43,5
1377,3 74,4 33,2
1388,9 69,4 39,7
1437,1 47,7 67,8
1469,9 61,2 50,3
1740,0 26,8 94,9
2878,1 72,4 35,8
2930,2 60,2 51,6
2963,0 45,9 70,1
3626,6 49,4 65,6
J
ΡΜπ° \ CAS η° 1 Name
71680 Ι 06683-19-8 PENTAERYTHRITOL TETRAKIS (3-(3,5-DI-TERT Solvent CDCL3
BUTYL-4-HYDROXYPHENYL) PROPIONATE) SF 250.13
SI 16384
SW 3125
NS 16
1
±1
r t l't 'r r r r r r t r r r ι f ( r ι r ι ( ι ι ι [ ι I I I ' I I I I r r ( ι ι ι ( ι ι ι ( ι ( ( ι
8 7 6 3 2
(ppm)
io
so
-~1
298
2-PhenyIindole
CAS No. 00948-65-2

PM Ref. No. 72160
Formula C I4 H„N
Alternative names
Physical Characteristics White powder, mp 188 - 190°C,

bp 250°C (10 mm Hg).

Safety

Applications PVC, PVDC.

105 000
93.000
81 000 _
« 69.000 _
57 000
45.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
Name : 2-PHENYLINDOLE
PM Nr : 72160 CAS Nr : 00948-65-2
KBr pellet
to
SO
SO
300
CAS No. 00948-65-2 PM Ref. No. 72160
2-PHENYLINDOLE

420,5 65,4 68,6
466,8 93,0 13,9
509,3 71,5 56,5
688,7 63,7 71,9
742,7 49,6 99,9
763,9 67,7 64,0
796,7 79,1 41,4
1300,2 81,9 35,9
1338,8 88,2 23,4
1352,3 81,5 36,7
1402,4 85,1 29,5
1446,8 78,2 43,2
1458,4 74,3 50,9
1481,5 83,7 32,3
3443,4 76,1 47,4
301
2-Phenylindole
B9
20 192
63 ~1
87 97 115 64
1
Π I
86 ι 96 Ί 102 |116 126 154 167 178
i
lin ill Γ I
100 175
51 11.3 165 44.9

63 10.9 166 9.0
89 22.4 178 0.7
90 10.3 192 14.0
115 6.2 193 100.0
139 8.5 194 16.2
164 8.6 195 1.1

Scan Range 40-500
LO
O
to
PM n"
72160 ) r
CAS n°
00948-65-2
^
J
Name
2-PHENYLINDOLE
)
Solvent
SF
CDCI3
250.13
s
SI 16384
sw
NS
3125
65
)
i ppm.
303
Phosphoric acid, diphenyl 2-ethylhexyl ester
C2H5
C=P—O—CH2—CH—C4H9
o
CAS No. - 01241-94-7

PM Ref. No. - 72800
Formula - C20H27O4P
Alternative names - 2-Ethylhexyl diphenyl phosph;

- Soluble in alcohol, ether, bem

Safety
Current uses - Plastizicer.

Applications - Inks, PVC.

LO
O
105 000
ί\Λ>
M
87 000
U
69 000
'Ί'
Í5 51 000
.33 000
15 300
"Τ"
4000 00 3280 00 2560.00 1840.00 1120 00 400 0
cm
Name : PHOSPHORIC ACID, DIPHENYL 2-ETHYLHEXYL ESTER
PM Nr : 72800 CAS Nr:01241-94-7

KBr pellet
305
CAS No. 01241-94-7 PM Ref. No. 72800
PHOSPHORIC ACID, DIPHENYL 2-ETHYLHEXYL ESTER

428,3 92,9 9,1
526,6 77,8 28,5
580,6 88,1 15,3
617,3 85,7 18,4
644,3 94,8 6,7
688,7 56,3 56,2
771,6 59,2 52,5
904,7 82,0 23,1
951,0 22,2 100,0
1024,3 31,1 88,6
1163,2 57,7 54,4
1192,2 27,6 93,1
1221,1 56,7 55,7
1294,4 47,7 67,3
1466,1 74,3 33,1
1491,2 36,8 81,3
1593,4 61,4 49,6
2862,7 68,2 40,9
2932,2 52,1 61,6
2961,1 50,3 63,9
306
Phosphoric acid, diphenyl 2-ethylhexyl ester
251
94
175
I
41
55 170 362
95 112 152 232
I115 I 215 I
II. "Γ
ιοι
41 12.9 249 11.7

43 10.4 250 21.9
55 9.1 251 100.0
77 11.1 252 12.1
94 2.5 362 9.4
175 16.7 363 1.7

Scan Range 25-450
| P M n ° | i CAS n° ^ Name
172800 j [ 01241-94-7 J PHOSPHORIC ACID, DIPHENYL 2-ETHYLHEXYL ESTER Solvent CDCL3
) SF 250.13
SI 16384
SW 3125
NS 25
'Ι Ι τ J I I I I I ] 1 Γ I ι T'i r τ ι ι ι ι ι ι ι Ι Ι Ι Ι Ι Ι Ι Ι 1 Ι Ι Ι Γ ΙΊ Π Ί Τ Τ Ι ΤΙ Ι ΙΤ'Π'ΠΤΤΊΗΊ Ι Ι Ι Ι Ι Ι [ Ι ι ι ι

6 ο
(ppm)
LO
o
-J
308
Phosphoric acid, tributoxyethyl ester
0- -O—CH2—CH2—O—C4Hc
CAS No. 00078-51-3

PM Ref. No. 73600
Formula Ci8H3907P
Alternative names - 2-Butoxyethanol, phosphate
Physical Characteristics - Colourless liquid, mp - 70 C C,

bp 215 - 228°C (4 mm Hg).

Safety -
Current uses - Plasticizer, flame retardant.

Applications - Paper.
Note - Not widely used for plastic food contact

materials.
105 000
88.000
71 000
54 000
37.000
20.000
4000 00 3280.00 2560 00 1840.00 1120.00 400.0
Name : PHOSPHORIC ACID, TRIBUTOXYETHYL ESTER
PM Nr : 73600 CAS Nr : 00078-51 -3

KBr pellet
LO
O
310
CAS No. 00078-51-3 PM Ref. No. 73600
PHOSPHORIC ACID, TRIBUTOXYETHYL ESTER

428,3 91,9 11,0
476,5 89,6 14,2
817,9 76,6 31,9
987,7 42,5 78,4
1043,6 26,7 100,0
1134,3 39,9 82,0
1279,0 52,9 64,2
1365,8 82,2 24,3
1381,2 83,6 22,4
1460,3 72,3 37,8
2872,4 47,7 71,3
2936,0 48,0 70,9
2959,2 43,8 76,7
311
Phosphoric acid, tributoxyethyl ester
80
45
125
I
100 227
I I
153
299
22JL
113 139 171 207 243 253 271 355
I Ι Γ Γ
Ρ, , !'■, J , I*, , JLAW n~
250 350
M/Z I on Intensity (%) M/Z Ion I ntensity (%)
41 40.7 125 39.4

45 67.4 153 18.2
55 11.5 154 11.3
56 64.5 155 11.6
57 100.0 199 24.1
85 47.2 227 21.0
99 19.4 299 13.8
100 20.8 355 1.8
101 18.0

Scan Range 40-500
LO
to
f PM n° "Ι
^ 73600
Γ CAS n°
{ 00078-51-3
^
J
Name
PHOSPHORIC ACID, TRIBUTOXYETHYL ESTER
)
r
Solvent
CDC13
SF 250.13
SI 16384
SW 3125
k" 16
>
1 I I I I I I I I | I I I I I I I I I I ■ l'i'
7 6
(ppm)
313
Phosphoric acid, tributyl ester
o- - 0 — C A4Γ19
H
CAS No. 00126-73-8

PM Ref. No. 73680
Formula C,2H2704P
Alternative names Tributyl phosphate
Physical Characteristics Colourless liquid, mp < -80°C,

bp 289°C with decomposition.

Safety - Irritant.

Applications - Cellulose esters.

LO
-Ρ-
105.000
92.000
79.000
ίδ 66.000 _
53.000 _
40.000
4000.00 3280.00 2560.00
Name : PHOSPHORIC ACID, TRIBUTYL ESTER
PM Nr : 73680 CAS Nr : 00126-73-8

KBr pellet
315
CAS No. 00126-73-8 PM Ref. No. 73680
PHOSPHORIC ACID, TRIBUTYL ESTER

544.0 94.4 9.8
555.6 93.8 11.0
993.5 61.0 69.0
1028.2 43.4 100.0
1282.8 71.5 50.4
1466.1 88.4 20.5
2876.2 81.9 32.0
2936.0 75.9 42.6
2961.1 64.3 63.1
316
Phosphoric acid, tributyl ester
100
40
155
I
57
I
55. 125
43 111 : 1," 167 183
I I
' I '
200 250
27 4.7 57 14.6
28 5.6 99 100.0
29 15.9 111 2.4
39 3.1 125 6.5
41 18.2 137 4.0
43 2.4 155 23.9
55 5.9 211 13.0
56 3.9 237 0.4

Scan Range 25-500
PMn 0 ^ ( CAS n" "I Name
173680 ^ 00126-73-8 PHOSPHORIC ACID, TRIBUTYL ESTER Solvent CDCLj
SF 250.13
SI 16384
SW 3125
NS 32
| I 1 I I I I I 1 I | ΓΤ t π ι
=u
I I [ 1 I I I I I I I
(ppm)
LO
ι—ι
-J
318
Phosphoric acid, triisobutyl ester
CH3
HO—CH2—CH—CH3
CAS No. 00126-71-6

PM Ref. No. 73840
Formula C12H2704P
Alternative names Triisobutyl phosphate
Physical Characteristics Colourless liquid, mp abt. -80°C, bp 264°C.

Soluble in alcohol, ether, benzene, water.

Safety

Applications Cellulose esters.

105.000
86.000
67.000 _
48.000
29.000 _
10.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : PHOSPHORIC ACID, TRIISOBUTYL ESTER
PM Nr : 73840 CAS Nr : 00126-71-6

K B r pellet
320
CAS No. 00126-71-6 PM Ref. No. 73840
PHOSPHORIC ACID, TRIISOBUTYL ESTER

418.6 88.1 13.8
542.1 84.6 17.8
879.7 67.4 37.8
918.2 86.2 16.0
964.5 76.1 27.7
1022.4 13.7 100.0
1284.8 57.0 49.9
1369.6 84.1 18.5
1396.6 87.8 14.1
1471.9 72.8 31.6
2876.2 71.1 33.5
2963.0 45.3 63.5
321
Phosphoric acid, triisobutyl ester
100
eo -
155
I
57
112 167
32 82 125 I.169
J_l Ί
I
i l ijl, J-, Γ 'I ' ' '
50 100 150 250
M/Z Ion Intensity (% ) M/Z Ion Intensity (%)
32 4.0 113 6.2

41 7.2 137 3.9
43 2.49 139 13.3
55 3.8 153 4.2
56 2.8 155 42.5
57 13.8 156 2.19
99 100.0 167 5.8
112 8.7 211 15.8

Scan Range 25-500
Lü
IO
to
PMn° I Γ CAS η" ^ Name

73840 Ι [ 00126-71-6 J PHOSPHORIC ACID, TRUSOBUTYL ESTER Solvent CDCL3
) SF 250.13
SI 16384
SW
12
3125
, NS
J
I I I I I I I I I I I l'I τ I 1 Ι 1 1 Ι T I I I I t I t ι ι T I I ι ι ι ι ι I 1 ï Ι Τ I "
7
(ppm)
323
Phosphoric acid, triphenyl ester
0=P
CAS No. -00115-86-6

PM Ref. No. - 73920
Formula - C 18 H 15 0 4 P
Alternative names Triphenyl phosphate
Physical Characteristics White crystalline powder, mp 50 - 51°C,

bp 245°C (11 mmHg).

Safety
Current uses - Plasticizer, flame retardant.

Applications - Paper.
Note - Not widely used for plastic food contact

materials.
LO
IO
-p.
105.000
87.000 _
69.000
™ 51 000
33.000 _
15.000
4000 00 3280.00 2560.00 1840.00 1120 00 400.0
cm
Name : PHOSPHORIC ACID, TRIPHENYL ESTER
PM Nr : 73920 CAS Nr : 00115-86-6

KBr pellet
325
CAS No. 00115-86-6 PM Ref. No. 73920
PHOSPHORIC ACID.TRIPHENYL ESTER

418.6 85.1 19.0
441.8 93.2 8.7
466.8 73.7 33.6
499.6 66.6 42.7
518.9 55.8 56.5
565.2 73.7 33.6
580.6 73.9 33.4
596.1 86.1 17.8
690.6 51.4 62.1
727.3 90.0 12.8
752.3 63.6 46.5
769.7 40.9 75.5
787.1 58.9 52.5
846.9 89.2 13.8
914.4 56.7 55.3
953.0 21.7 100.0
1008.9 40.9 75.5
1022.4 57.3 54.6
1070.6 74.7 32.3
1163.2 39.3 77.6
1176.7 33.0 85.6
1234.6 67.8 41.2
1294.4 36.9 80.6
1454.5 72.1 35.7
1485.4 43.1 72.7
1589.5 58.7 52.8
1952.2 90.1 12.7
3061.4 78.4 27.6
326
Phosphoric acid, triphenyl ester
60 -
65
I
40 94 170
233
I
141
139 152
bj 100 I" 187
I I I
Uj . .Ί.
■ I '
50 100 150 200 250 300
51 27.6 169 28.5

65 48.1 170 36.3
77 93.8 215 27.2
78 7.0 228 14.8
93 10.0 232 16.0
94 33.3 233 20.7
139 9.8 325 83.0
141 11.6 326 100.0
152 10.0 327 16.3
168 15.5 328 2.2

Scan Range 40-500
Name
PHOSPHORIC ACID, TRIPHENYL ESTER
] Solvent
SF
SI
CDC13
250.13
16384
SW 3125
NS 46
|"l 1 'ΓΊ I I I I I f 1 Τ Τ Ì Ι'Ί ' ι ι ι ι Ι ι ι ι ι ι ι ι ι ι Ι ι ι ι ι ι ι ι ι ι Ι ι r r I T T I Τ I I I I I I r ι ι ι ι | ι ι ι l ' I l i

0
(ppm)
LO
to
-o
328
Phosphoric acid, tris(2ethylhexyl) ester
Ç2H5
hO—CH 2 —CH—C 4 H 9
α
CAS No. 00078-42-2

PM Ref. No. 74000
Formula C24H5104P
Alternative names - Trioctyl phosphate, Tri(2-ethylhexyl) phosphate

bp 215°C (4 mm Hg).
- Soluble in alcohol, acetone, ether.

Safety
Current uses - Lubricant, plasticizer.

Applications - Inks, PVC.

105 000
86 000 _
67 000
e
S 48 000
29 000
10 000
4000 00 3280 00 2560 00
Name : PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER
PM Nr : 74000 CAS Nr : 00078-42-2

K B r pellet
LO
to
330
CAS No. 00078-42-2 PM Ref. No. 74000
PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL) ESTER

434,0 93,4 8,4
474,6 92,3 9,8
586,4 94,7 6,7
611,5 94,3 7,2
727,3 94,4 7,1
769,7 91,3 11,0
885,4 78,0 27,9
1022,4 21,2 100,0
1269,3 66,1 43,0
1284,8 62,2 48,0
2862,7 53,0 59,6
2932,2 32,8 85,3
2961,1 30,5 88,2
331
Phosphoric acid, tris(2-ethylhexyl) ester
40
57 71
323
ulJi
I
153
I
T
200
41 5.1 99 100.0
43 6.9 112 5.9
55 6.1 113 23.5
57 13.1 211 10.0
69 5.3 212 0.7
71 10.5 323 6.0
83 2.4 324 1.0

Scan Range 25-700
LO
LO
IO
PMn°
74000
|
I
Γ CAS n°
^00078-42-2
^ Name
PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER 1 Solvent
SF CDCL
Λ
250.133
SI 16384
SW 3125
J
iNS 16
I I I I I I I i'|i I I I I I
3
(ppm)
333
Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester
ert. Butyl
-tert. Butyl
CAS No. 31570-04-4

PM Ref. No. 74240
Restrictions None
Formula C42H63O3P
Alternative names Tris(2,4-di-tert-butylphenyl)phosphite
Physical Characteristics White powder, mp 180 - 185°C.


Safety
Current uses Stabilizer, co-stabilizer.


Di-tert-butylphenol 27.7 min.
Tris(2,4-di-tert-butylphenyl)phosphate 49.2 min.
LO
LO
4^
105.000
88.000
71.000
S 54.000 _
37.000
20.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm'1
Name : PHOSPHOROUS ACID, TRIS^^-DLTERT-BUTYLPHENYL) ESTER
PM Nr : 74240 CAS Nr : 31570-04-4

K B r pellet
335
CAS No. 31570-04-4 PM Ref. No. 74240
PHOSPHOROUS ACID, TRIS(2,4 DI-TERT-BUTYLPHENYL)

ESTER
410.9 88.6 16.1
434.0 88.5 16.2
495.8 82.5 24.7
580.6 84.0 22.5
646.2 82.2 25.1
661.7 87.8 17.2
692.5 71.8 39.8
727.3 89.2 15.2
775.5 56.4 61.5
825.6 67.2 46.2
854.6 29.1 100.0
889.3 79.5 28.9
906.7 58.0 59.3
1082.2 51.1 68.9
1126.6 87.2 18.0
1155.5 82.4 24.8
1196.0 45.2 77.3
1213.4 46.62 75.3
1248.1 74.25 36.3
1275.1 78.85 29.8
1361.9 66.44 47.3
1398.6 70.91 41.0
1462.2 79.29 29.2
1491.2 49.82 70.8
2868.5 69.26 43.3
2932.2 61.79 53.9
2961.1 45.48 76.9
336
Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester
80
60 -
147
I
441
191
I
91 646
69 105 175 200 237 385 425
I
'wXXU U'.'Ul'- * ~rTr
300 400 500
41 16.6 191 10.3

55 5.5 308 4.0
57 100.0 441 16.5
58 4.3 646 4.4
91 5.0 647 1.7
105 2.5 648 0.3
147 19.7

Scan Range 40-700
337
Di-tert-butylphenol
191
80
41 206
Γ
74 192
91 163
I.
55_ 58 66 95 105 115 128 135 W5 164 175
Γ ¡I
1^ XX\
I
'II , Luu lu JL I
200
50 150
41 18.6 145 4.3

43 4.6 163 5.6
57 39.0 175 3.4
58 3.4 191 100
73 8.9 192 12.7
74 11.6 206 21.9
88 4.6 207 3.7
91 6.5 208 0.5

Scan Range 40-700
338
Tris(2,4-di-tert-butylphenyl)phosphate
60
316
I
217
mXx
253 29,1 355
I
400 τ·" 600

500
41 31.7 175 3.8

55 8.6 191 11.9
57 100.0 316 35.6
91 7.0 647 46.5
119 3.7 662 11.6
147 6.4 663 2.7

Scan Range 40-700
Γ ΡΜη° ^ Γ CAS η° ^ Name
[ 74240 J [ 31570-04-4 J PHOSPHOROUS ACID, TRIS(2,4-DI-tert-BUTYLPHENYL) ESTER
)
Solvent CDCL3
SF 250.13
SI 16384
SW 2380
NS 32
I!
li 1
J
| l '
s
Ι ι ' I
3
==k
I
2
i ppm)
LO
LO
VO
340
Phosphorous acid, tri(nonyl-and/or dinonylphenyl) ester
CqH
9n19
n
CAS No. 26523-78-4 and 01333-21-7

PM Ref. No. 74400
Formula n = 1 and/or 2
Molecular weight
Alternative names Tris(nonylphenyl)phosphite
Physical Characteristics Slightly yellow viscous liquid.


Safety
Current uses Stabilizer, antioxidant.

GC Retention time Degradation product, cluster 31.8 - 33.3 min.

105.000
84.000
63.000
Í5 42.000
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"1
Name : PHOSPHOROUS ACID , TRISÍNONYL-AND/OR D INONYLPHENYL) ESTER
P M N r : 74400 CAS Nr : 26523-78-4

LO
-Ρ-
342
PHOSPHOROUS ACID, TRIS(NONYL and/or DINONYLPHENYL)

ESTER
405,1 87,3 13,1
428,3 79,3 21,3
509,3 83,9 16,6
522,8 82,4 18,1
569,1 65,1 35,9
632,7 67,7 33,3
657,8 79,5 21,1
731,1 49,5 52,0
752,3 25,6 76,6
835,3 11,1 91,6
870,0 2,9 100,0
916,3 23,4 78,9
1016,6 36,6 65,3
1093,8 74,0 26,8
1113,1 60,7 40,5
1172,9 3,5 99,4
1211,4 3,4 99,5
1365,8 45,3 56,3
1379,3 33,0 69,0
1410,1 62,8 38,3
1466,1 22,8 79,5
1504,7 4,6 98,3
1583,8 58,2 43,1
1603,0 34,8 67,2
1892,4 80,2 20,4
2386,2 86,6 13,8
2727,7 86,8 13,6
2872,4 13,0 89,6
2932,2 6,2 96,6
2963,0 3,0 99,9
3038,3 53,6 47,8
3752,0 89,9 10,4
3854,2 86,0 14,4
343
Phosphorous acid, tri(nonyl-and/or dinonylphenyl) ester
2.3E6
2.2E6
2.1E6
2.016
1.9E6
1.7E6
.1. 6E6
1.5E6
.1.4E6
-1.2E6
.1.1E6
3.9E5
.Β. GE5
.7.4E5
Í.6.2E5
J. 9E5
415
429 3. 1E5
443 2. 5ES
455 1.2E5
m ω
100
.U..JL LAjU ,ί JJJMUL
aio li O-LLuJ
10 550 6'
650 7Ó0 ' TÍO
_^.0.0EO
B00 ■/
41 42.3 149 46.6

43 34.4 469 53.4
55 22.7 470 18.4
57 35.0 603 77.9
71 24.5 604 34.4
91 28.2 617 67.5
107 47.9 618 30.7
118 20.2 631 44.8
121 42.3 632 20.2
135 100.0 645 19.6
Scan Range 40-1000
344
Degradation product
135
60
107
149
40
20
163
I
77 91 133_ 150 191
57 69 I 84 95 122
Γ I..
JM
Τ
_LL4
~Γ 100 200
50
41 13.2 149 38.9

55 8.3 163 10.8
77 6.7 177 4.7
91 7.9 191 5.5
107 49.1 220 6.5
121 40.7 221 1.9
135 100.0

Scan Range 40-700
]
PMn° CASn° Name
74400 26523-78-4 PHOSPHOROUS ACID, TRIS(NONYL-AND/OR DINONYLPHENYL) ESTER
01333-21-7
Solvent CDCI3
SF 250.13
SI 16384
SW 3125
NS 110
Τ ΓΤΤΤΤΤΤΤ | I I I I I I I I I | ι ι ι ι ι ι ι ι t ι 1 ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι I
3
(ppm)
LO
L/l
346
Phthalic acid, benzyl butyl ester
CAS No. 00085-68-7

PM Ref. No. 74560
Formula C19H20(J4
Alternative names - Benzylbutyl phthalate
Physical Characteristics - Colourless liquid, mp -35°C, bp 370°C.

Handling
Availability
Current uses
Applications - Plasticizer, lubricant, carrier.
- PVC, PVDC, styrene co-polymers, inks.
105.000
87.000
69.000 _
ra 51.000
33.000 _
15.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"1
Name : PHTHALIC ACID, BENZYL BUTYL ESTER
PM Nr : 74560 CAS Nr : 00085-68-7

K B r pellet
LO
-J
348
CAS No. 00085-68-7 PM Ref. No. 74560
PHTHALIC ACID, BENZYL BUTYL ESTER

416.7 87.9 15.3
432.1 94.0 7.6
698.3 66.2 42.8
742.7 57.2 54.1
1039.8 84.4 19.8
1070.6 49.5 63.9
1122.7 42.0 73.4
1284.8 21.1 99.9
1377.3 79.7 25.7
1456.4 75.1 31.5
1489.2 88.4 14.7
1498.9 85.1 18.8
1599.2 87.1 16.4
1726.5 21.0 100.0
2874.3 80.7 24.4
2934.1 74.5 32.2
2959.2 66.4 42.6
349
Phthalic acid, benzyl butyl ester
149
100
60 -
20 65 104
41 76 123
92 135
Γ 165 178 205
I '—
238
100
LJ ■ M -
194
. .1.
■T-r-r
50 300
41 12.9 132 10.8

65 17.8 133 2.5
76 12.4 135 6.1
77 8.7 149 100.0
91 75.4 150 11.6
104 17.5 206 14.2
105 11.3 238 1.3
122 8.4 312 0.8
123 12.5 313 0.1

Scan Range 40-500
LO
Lfl
O
y
ÍPMn" ì ( CASn° "|
[ 74560 J [ 00085-68-7 j
Name
PHTHALIC ACID, BENZYL BUTYL ESTER Solvent CDCLj
Λ
) SF 250.13
SI 16384
SW 2380
NS
32
)
(spilli
351
Phthalic acid, bis(2-ethylhexyl) ester
O Ç2H5
C—O—CH2—CH—C4H9
C—O—CH2—CH—C4H9
H I
O C2H5
CAS No. -00117-81-7
PM Ref. No. - 74640
Formula - C 2 4H3 8 U 4
Alternative names - Dioctyl phthalate, Di(2-ethyihexyl) phthalate
Physical Characteristics - Light coloured liquid, mp -50°C, bp 384°C.

Handling
Availability
Current uses
Applications - Plasticizer, lubricant, carrier, release agent.
- PVC, PVDC, styrene co-polymers, inks.
LO
Ui
105.000
84.000
63.000 _
42.000
21.000 _
0.000
4000.00 3280.00
Name : PHTHALIC ACID, BIS(2-ETHYLHEXYL) ESTER
PM Nr : 74640 CAS Nr : 00117-81-7

KBr pellet
353
CAS No. 00117-81-7 PM Ref. No. 74640
PHTHALIC ACID, BIS(2-ETHYLHEXYL) ESTER

414.8 87.5 14.0
437.9 94.3 6.4
447.5 93.6 7.2
652.0 86.6 15.0
706.0 68.3 35.5
742.7 46.5 59.8
958.7 76.9 25.9
1039.8 68.3 35.5
1072.6 29.1 79.4
1122.7 23.6 85.5
1275.1 11.2 99.3
1381.2 60.2 44.5
1464.2 45.8 60.7
1581.8 77.5 25.1
1601.1 79.6 22.8
1730.4 10.6 100.0
2862.7 36.7 70.8
2932.2 19.88 89.6
2961.1 18.50 91.2
3427.9 90.61 10.5
354
Phthalic acid, bis(2-ethylhexyl) ester
li» 1 9 PM74 640 I-X200.00H -1.2ES

95: -1.2E6
90: -1.1E6
85: _1.1E6
80; -9.9E5
75: -9.3E5
70: -6.7E5
65. -S.1E5
60J -7.5E5
55: -6.8E5
1 7
50: -6.2E5
45: . 5 . 6E5
40. -5.0E5
57
35: -4.3B5
30. -3.7E5
3 0
25. 3. 1E5
71
20:
279
-2.5E5
1 3
15: :1.9E5
10: .1.2E5
83
L6.2E4
5:
0
1
_L I ι,,Ι, 1 .1 O.OEO
4o
rf e'o so 100 12C 140 160 ISO 200 220 240 260 2 io 300 3Í 0 340 360 380 «00 420 440 M/Z
41 6.4 83 7.9
43 20.2 112 11.8
55 14.6 113 15.6
56 8.0 149 100.0
57 35.9 150 13.0
69 5.7 167 52.9
70 17.5 279 18.2
71 22.2
Source Temperature 250 °C
Scan Range 40-1000
]
f PM n° ^ f CAS n° "l Name
[ 74640 J [ 00117-81-7 J PHTHALIC ACID, BIS(2-ETHYLHEXYL) ESTER Solvent CDCb
SF 250.13
SI 16384
sw 2380
NS 32
>
XJJV Λ XJ
(uoml
LO
Ui
Ui
356
Phthalic acid, dibutyl ester
CAS No. 00084-74-2

PM Ref. No. 74880
Formula Ci6H2204
Alternative names Dibutyl phthalate
Physical Characteristics Colourless liquid, mp -35°C, bp 340°C.

Soluble in alcohol, ether, benzene.

Safety

Applications PVC.

105.000
>>>h«r<>**WW«tv*lt^
86.000
67.000 _
« 48.000
29.000
10.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
Name : PHTHALIC ACID, DIBUTfYL ESTER
PM Nr:74880 CAS Nr : 00084-74-2

KBr pellet
LO
Ui
358
CAS No. 00084-74-2 PM Ref. No. 74880
PHTHALIC ACID, DIBUTYL ESTER
Peak wavenumber %T RELATIVE INTENSITY

412.8 69.0 35.6
430.2 80.5 22.4
445.6 87.2 14.7
467.1 93.9 7.0
704.1 82.0 20.7
746.5 61.8 43.9
943.3 82.6 20.0
1018.5 84.4 17.9
1039.8 79.3 23.8
1074.5 35.6 73.9
1099.6 74.2 29.6
1122.7 36.2 73.2
1288.6 13.5 99.3
1340.7 78.8 24.3
1385.1 75.8 27.8
1450.7 75.1 28.6
1466.1 70.0 34.4
1726.5 12.9 100.0
2876.2 65.1 40.1
2937.9 56.3 50.2
2961.9 41.5 67.2
359
Phthalic acid, dibutyl ester
100
41
Γ
150
Γ
104
I
278
iin
Τ
200
41 34.7 104 12.1

56 16.2 105 6.0
57 16.0 149 100.0
65 11.6 150 25.4
76 13.0 205 16.1
77 3.7 223 20.7
93 8.5 278 3.2
Spectrometer Finnigan Vlat SSQ 700

Scan Range 40-300
LO
Os
O
CASn 0
00084-74-2
] Name
PHTHALIC ACID, DIBUTYL ESTER
J Solvent
SF
SI
CDCL3
250.13
16384
»J
SW 3125
NS
LA
80 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
361
Phthalic acid, dicyclohexyl ester
CAS No. 00084-61-7

PM Ref. No. 74960
Formula C20H26G4
Alternative names - Dicyclohexyl phthalate
Physical Characteristics - White powder, mp 63 - 65°C,

bp 220 - 230°C.

Safety


LO
as
io
105.000
84.000 _
63.000 -
42.000
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm'1
Name : PHTHALIC ACID, DICYCLOHEXYL ESTER
PM Nr : 74960 CAS Nr : 00084-61-7

KBr pellet
363
CAS No. 00084-61-7 PM Ref. No. 74960
PHTHALIC ACID, DICYCLOHEXYLESTER

410.9 79.8 20.6
449.5 86.6 13.7
476.5 58.6 42.2
490.0 79.9 20.5
549.8 66.5 34.2
594.2 77.4 23.1
648.2 61.4 39.4
692.5 66.1 34.6
711.8 71.8 28.8
740.8 13.8 87.9
794.8 42.5 58.7
804.4 60.1 40.7
827.6 67.3 33.4
839.1 54.0 46.9
858.4 62.3 38.5
891.2 48.1 52.9
916.3 22.3 79.3
943.3 33.5 67.8
958.7 66.6 34.1
987.7 59.1 41.7
1010.8 15.9 85.8
1039.8 28.6 72.8
1076.4 13.6 88.1
1126.6 5.0 96.9
1142.0 17.9 83.7
1157.4 40.4 60.8
1196.0 60.0 40.8
1246.2 14.7 87.0
1257.7 7.8 94.0
1267.4 9.0 92.8
1294.4 2.0 100.0
1360.0 33.7 67.6
1373.5 35.4 65.9
1446.8 23.4 78.1
1468.0 50.2 50,8
1487.3 43.5 57.6
1579.9 52.9 48.0
1599.2 49.0 52.0
1632.0 84.5 15.8
1713.0 5.3 96.6
1944.5 89.3 10.9
1973.4 90.8 9.4
2662.1 88.8 11.4
2860.8 17.1 84.6
2937.9 7.8 94.0
2976.5 47.5 53.6
3074.9 84.1 16.2
3416.4 79.2 21.2
364
Phthalic acid, dicyclohexyl ester
149
80
40
20 - 41
249
67 83 104
93 121 168 207 231
,ί.Ι, ,,,«, I
Γ-Γ-ρ-
100 200 300 350
41 16.9 149 100.0

55 25.3 150 14.1
67 7.2 167 35.1
77 1.6 249 9.0
104 5.1

Scan Range 25-450
Γ PM n" "I f CAS n° "l Name Solvent CDCLj
[ 74960 J [ 00084-61-7 J PHTHALIC ACID, DICYCLOHEXYL ESTER SF 250.13
SI 16384
SW 3125
NS 72
uu
8.5 8.0 7.5 7.0. 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
LO
ON
Ui
366
Phthalic acid, diethyl ester
CAS No. 00084-66-2

PM Ref. No. 75120
Formula C12H,404
Alternative names Diethyl phthalate


Safety


105.000
90.000 _
75 000
60 000
45 000
30.000
4000 00 3280.00
Name : PHTHALIC ACID, DIETHYL ESTER

PM Nr : 75120 CAS Nr : 00084-66-2
KBr pellet
LO
ON
~0
368
CAS No. 00084-66-2 PM Ref. No. 75120
PHTHALIC ACID, DIETHYL ESTER

418.6 63.5 58.4
744.6 75.8 38.7
1016.6 84.4 24.9
1041.7 81.0 30.4
1072.6 63.7 58.0
1126.6 63.6 58.2
1174.8 88.3 18.7
1286.7 37.8 99.5
1367.7 77.5 36.0
1448.7 88.5 18.4
1726.5 37.5 100.0
2984.2 85.0 24.0
369
Phthalic acid, diethyl ester
177
I
150
Γ 178
50 65 76 93. 121 132 Γ 222
151 91 194 107 ί, ! 135 164 194
50 100
50 2.0 150 11.6

65 4.8 176 10.8
76 5.1 177 30.3
93 5.5 178 6.1
105 6.6 222 4.6
149 1 00.0 223 0.6

Scan Range 40-500
LO
-~1
O
y
( PMn° "I Γ CASη° ^ Name \
[ 75120 J [ 00084-66-2 J PHTHALIC ACID, DIETHYL ESTER Solvent CDCI3
) SF 250.13
SI 16384
sw 3125
16
NS
J
1 Ippm)
371
Phthalic acid, diisobutyl ester
CH3
I
C—0—CH 2 —CH—CH 3
C—0—CH 2 —CH—CH 3
Il I
0 CH3
CAS No. - 00084-69-5

PM Ref. No. - 75280
Formula - C16H2204
Alternative names - Diisobutyl phthalate

Handling
Availability
Current uses
- General use.
LO
^1
K»
105.000
88.000
71.000 _
™ 54.000
37.000
20.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"1
Name : PHTHALIC ACID, DIISOBUTYL ESTER
PM Nr : 75280 CAS Nr : 84-69-5

KBr pellet
373
CAS No. 00084-69-5 PM Ref. No. 75280
PHTHALIC ACID, DIISOBUTYL ESTER

652.0 90.2 13.0
706.0 82.2 23.5
744.6 69.7 40.0
947.2 87.8 16.1
981.9 76.1 31.6
1039.8 86.4 17.9
1072.6 51.3 64.3
1122.7 48.4 68.1
1286.7 28.4 94.5
1342.6 87.5 16.4
1377.3 75.8 31.9
1394.7 87.7 16.2
1469.9 74.1 34.2
1581.8 88.4 15.3
1601.1 87.7 16.2
1726.5 24.2 100.0
2876.2 78.2 28.8
2963.0 57.99 55.4
374
Phthalic acid, diisobutyl ester
80
40
Ai
56_ 76 104 223
50 65 93 l 121 132 167 224
, ι i r- t
100 150
- r 250
200
41 11.8 105 2.0

43 3.3 121 1.9
56 4.7 149 100.0
57 17.5 150 8.6
65 2.8 167 3.4
76 5.6 205 2.5
77 1.4 223 7.4
93 2.2 224 0.8
104 7.4

Scan Range 40-500
í PM η° ^
[ 75280 J
ί CAS η°
[ 0084-69-5
^
J
Name
PHTHALIC ACID, DHSOBUTYL ESTER
f Solvent
Λ
CDCL3
) SF 250.13
SI 16384
SW 2380
J
16
^
(ppm)
LO
Ui
376
Phthalic acid, diisodecyl ester
C O C!oH2i
C—O Cxoî
O
CAS No. 26761-40-0

PM Ref. No. 75360
Restrictions Re-examined
Formula C28H4604
Alternative names Diisodecyl phthalate


Safety

Applications PVC.
GC Retention time Cluster 48.3 - 54.3 min.

105.000
86.000
67.000
™ 48.000
29.000
10.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm'1
Name : PHTHALIC ACID, DHSODECYL ESTER
PM Nr : 75360 CAS Nr : 26761-4O-0

KBr pellet
LO
^1
378
CAS No. 26761-40-0 PM Ref. No. 75360
PHTHALIC ACID, DIISODECYL ESTER

414.8 87.4 14.6
428.3 88.8 12.9
542.1 94.4 6.5
565.2 92.7 8.5
706.0 75.4 28.4
742.7 54.0 53.0
966.5 79.4 23.7
1039.8 73.7 30.3
1072.6 39.4 69.9
1122.7 29.9 80.9
1286.7 13.9 99.3
1381.2 58.5 47.9
1466.1 49.1 58.6
1581.8 83.3 19.3
1601.1 84.0 18.4
1728.4 13.3 100.0
2874.3 37.4 72.2
2930.2 24.91 86.6
2959.2 16.89 95.8
379
Phthalic acid, diisodecyl ester
1001 1 9 PM75360 MxiOÖM _1.3ES
95: -1.2E6
90: -1.2E6
85. -1.1E6
ao_ 1.0E6
75. -9.8E5
70. -9.1E5
65. -8.5E5
60. -7.8E5
55: -7.2E5
57
50. -E.5E5
71
45: •.5.9E5
β 5
4 0: 1 7 Ì5.2E5
35: .4.6E5
307
30. :3.9E5
25. :3.3E5
20. :2.6E5
15J :2.0E5
10: 97 446 L1.3E5

5 Il m
- Ì.S.5E4
,1 li li
ili l i blu l i' ι 1 O.0E0
-1—r
"r ρ 20θ' ' 25θ' 300 350 4ÒO 150 500 M/Z
SO ' ' 100 ' 150
43 44.1 97 8.9
55 26.1 99 8.1
56 10.1 104 5.1
57 51.4 111 6.6
69 23.8 141 22.6
70 18.9 149 100.0
71 46.2 150 11.8
83 14.5 167 40.1
84 11.3 307 32.8
85 42.0 308 6.7
Scan Range 40-1000
o
í PM η° "Ι
[ 75360 J
Γ CAS η°
[ 2676140-0
^
J
Name
PHTHALIC ACID, DIISODECYL ESTER
] rSolvent
Λ
CDCL3
SF 250.13
SI 32768
SW 2380
32
^NS J
-.'JUL
■ I 1 I I I I I -r-r-r-r-r-r-r-
(pprn)
381
Phthalic acid, diisononyl ester
C—O—CQH
gn19
C O C9H19
Ί
o
CAS No. 28533-12-0

PM Ref. No. 75440
Restrictions Re-examined
Formula C26H42Ü4
Alternative names Diisononyl phthalate
Physical Characteristics Colourless liquid, mp -48°C.


Safety

Applications PVC.
GC Retention time Cluster 47.9- 52.1 min.

LO
00
105.000
84.000
63.000 _
« 42.000 _
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"'
Name : PHTHALIC ACID, DIISONONYL ESTER
PM Nr : 75440 CAS Nr : 28553-12-0

KBr pellet
383
CAS No. 28533-12-0 PM Ref. No. 75440
PHTHALIC ACID, DIISONONYL ESTER

410.9 89.8 11.6
441.8 90.5 10.8
536.3 94.4 6.3
706.0 76.0 27.1
742.7 52.7 53.6
966.5 78.7 24.1
1039.8 73.3 30.2
1074.5 37.8 70.4
1124.6 27.8 81.8
1286.7 11.6 100.0
1367.7 68.2 36.0
1383.1 57.4 48.2
1466.1 48.6 58.2
1581.8 82.4 19.9
1601.1 83.6 18.6
1728.4 11.9 99.7
2874.3 40.1 67.8
2928.3 26.63 83.0
2959.2 16.35 94.7
384
Phthalic acid, diisononyl ester
1001 1 9 PM75440 ►xlOO.OÍH 1.5ES
95: 1.4E6
90: .1.3E6
85: .1.3E6
80: :1.2E6
75: Li. 116
70: .1.0E6
65: .9.6E5
60j .8.9E5
55: :8.1E5
50. .7.4E5
45. 57 :6.7E5
40: :5.9E5
35: 71 :5.2E5
30: L4.4E5
25. : 3 . 7E5
127 293
20: 1 7 :3.0E5
85
15. : 2 . 2E5
418
10. :1.5E5
97 403 L7.4E4
5.
0 il 11
ι, .
.ii.L ,. I , , K 1 , O.OEO
4o ¿a e'o ìoò lio ìio ito iéó ¿60 220 2 4 0 260 2 8 0 300 320 3 4 0 3 >0 3 8 0 400 420 440 M/S
43 30.5 85 17.8
55 18.6 97 5.8
56 9.5 126 5.2
57 43.9 127 22.9
69 12.4 149 100.0
70 10.7 150 11.2
71 35.4 167 20.3
83 9.2 279 23.2
84 6.1
Scan Range 40-1000
J
f PM n° ^ f CAS n° ^ Name
[ 75440 J [ 28533-12-0 J PHTHALIC ACID, DIISONONYL ESTER Solvent CDCL3
SF 250.13
SI 16384
SW 3125
NS 42
ULL.
¡opm)
LO
OO
Ui
386
Phthalic acid, diisooctyl ester
C—O—C«H
8n17
Ç—O—C 8 H 1 7
li
o
CAS No. 27554-26-3

PM Ref. No. 75520
Formula C24H3g04
Alternative names - Diisooctyl phthalate
Physical Characteristics - Colourless liquid, mp -43°C, bp 370°C.

Handling
Availability
Applications -PVC.
GC Retention time - Cluster 45.6 - 50.2 min.

105.000
84.000
63.000
« 42.000 _
21.000
0.000
4000.00 3280.00
Name : PHTHALIC ACID, DIISOOCTYL ESTER
PM Nr : 75520 CAS Nr : 27554-26-3

KBr pellet
LO
00
388
CAS No. 27554-26-3 PM Ref. No. 75520
PHTHALIC ACID, DIISOOCTYL ESTER

414.8 86.1 14.9
459.1 93.1 7.4
706.0 72.4 29.7
742.7 46.5 57.5
964.5 70.5 31.6
1039.8 63.4 39.3
1074.5 27.9 77.4
1124.6 19.0 87.0
1286.7 6.9 100.0
1367.7 63.5 39.3
1385.1 52.5 51.0
1466.1 43.8 60.4
1581.8 80.3 21.1
1601.1 81.1 20.4
1730.4 8.2 98.6
2874.3 34.7 70.2
2932.2 23.8 81.9
2959.2 13.03 93.4
389
Phthalic acid, diisooctyl ester
lOOl 1 9 PH75520 hxldO.ÛÔ-, -1.3E6

95: -1.2E6
90: .1.1E6
85. .1.1E6
BO. 1.0E6
75: .9.6E5
70. 57
_8.9E5
65j -8.3E5
60. .7.7E5
55: -7.0E5
50: ^6.4E5
45j .5.7E5
71
40: :_5.1E5
35. :4.5E5
30J :3.8E5
1 3
25: -3.2E5
20. .2.6E5
1 7 2' 9
15: :1.9E5
10: 83 390 L1.3E5
5:
o; L* II
l
il.J-.ll, 1 II L .
I I I ' l'I I 1 ! O.OEO
L6.4E4
4 o ' Vo' ' 'e'o' ' iòo iic 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 4 40 M/Z
41 8.81 83 8.9
43 23.7 84 7.3
55 18.7 112 6.3
56 11.4 113 25.9
57 68.3 149 100.0
69 17.8 150 9.7
70 14.5 167 17.7
71 42.3 279 16.7
Scan Range 40-1000
LO
VO
O
CASn 0
}
Name
27554-26-3 PHTHALIC ACID, DHSOOCTYL ESTER Solvent CDCLj
) SF 250.13
SI 16384
sw 3125
36
NS
J
(op m)
391
Phthalic acid, dimethyl ester
C—O—CH,
C—O—CH-
CAS No. 00131-11-3

PM Ref. No. 75600
Formula G10H10O4
Alternative names Dimethyl phthalate
Physical Characteristics Oily liquid, mp 2°C, bp 282°C.


Safety Irritant.
Current uses Plasticizer, carrier.

Applications PVC.

LO
Ό
IO
105.000
84.000
63.000
« 42.000 _
21.000 _
0.000
4000 00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : PHTHALIC ACID, DIMETHYL ESTER
P M N r : 75600 CAS Nr :00131-11-3

KBr pellet
393
CAS No. 00131-11-3 PM Ref. No. 75600
PHTHALIC ACID, DIMETHYL ESTER

412.8 80.1 21.0
434.0 90.4 10.1
445.6 89.4 11.2
466.8 90.0 10.5
480.3 91.2 9.3
559.4 87.3 13.4
652.0 85.2 15.6
706.0 65.7 36.1
746.5 34.9 68.6
817.9 73.9 27.5
843.0 83.8 17.1
958.7 61.8 40.2
1039.8 65.5 36.3
1076.4 24.8 79.2
1124.6 21.8 82.3
1192.2 62.0 40.0
1292.5 5.1 99.9
1435.2 32.1 71.5
1489.2 73.4 28.0
1579.9 74.6 26.7
1601.1 75.1 26.2
1730.4 6.4 98.6
2903.2 91.2 9.3
2955.3 62.6 39.4
3003.5 80.9 20.1
394
Phthalic acid, dimethyl ester
100 ι
80
SO
50
20
133
105 135 194
63 73 93 120
xLJ XXrX 101 .¡121

125
136 1 » 161_
150
165
175
179
50 24.6 92 27.8
51 6.4 104 15.0
63 4.9 105 9.5
64 4.8 120 4.4
74 14.3 133 11.5
75 10.9 135 6.5
76 30.4 163 100.0
77 39.4 164 9.3
78 3.1 194 5.8
91 3.4 195 0.7

Scan Range 40-500
ί PM n° "I f CAS n° "| Name
I 75600 J [00131-11-3 J PHTHALIC ACID, DIMETHYL ESTER Solvent CDCI3
) SF 250.13
SI 16384
SW 3125
NS 32
JW\K A^V
7.! 7.7 7.6 7.5
LO
396
Polydimethylsiloxane
ÇH3
-O—Si—Ο
Ι
CH3
n
CAS No. -09016-00-6 and 61348-62-9

PM Ref. No. - 76720
Restrictions - None
Formula
Molecular weight - Approx. 12500
Alternative names Dimethicone
Physical Characteristics Colourless viscous liquid, mp approx. -34°C.

Soluble in toluene, chloroform, ether.

Safety

Applications PS, PVC, PE, PP.
GC Retention time
105.000
84.000 _
63.000
¡5 42.000 _
21.000 _
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : POLYDIMETHYLSILOXANE
P M N r : 76720 CAS Nr:09016-00-6

LO
VO
^l
398
POLYDIMETHYLSILOXANE
Peak wavenurr ber %T Relative intensity

661.7 86.3 15.1
686.7 83.3 18.4
800.6 9.4 100.0
864.2 60.3 43.8
1020.5 10.2 99.1
1097.6 11.9 97.2
2965.0 49.7 55.5
399
Polydimethylsiloxane
574
■ Μ ' |· I
700
43 29.3 281 44.0

45 26.7 295 58.7
55 23.3 354 78.0
57 20.0 355 29.3
70 21.3 368 50.0
73 73.3 428 70.0
147 44.7 429 31.3
207 24.0 430 20.7
221 100.0 502 43.3
222 24.0 503 22.0
Scan Range 40-1000
O
o
PMn°
76720 ) CASn°
09016-00-6
Λ
I
Name
POLYDIMETHYLSILOXANE
] Solvent
SF
SI
CDCLj
250.13
16384
6494
63148-62-9 I sw
NS 16
8.5 5.5 4.5 4.0 3.0 2.5 1.0 0.5

k
(ppm)
401
Polyethyleneglycol ether of tallow fatty alcohol
R- -0—CH 2 —CH 2 - -OH

n
CAS No. - 61791-28-4

PM Ref. No. - 77760
Restrictions - None
Formula
Molecular weight - 10 units ethylene oxide (n= 10)
Alternative names
Physical Characteristics Off white past, mp >30°C.


Safety Harmful.
Current uses Lubricant, emulsifier, antistatic agent.

Applications PVA, PTFE, polyolefins.
GC Retention time
O
to
105.000
86.000 _
67.000
™ 48.000 _
29.000
10.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm"1
Name : POLYETHYLENEGLYCOL ETHER OF TALLOW FATTY ALCOHOL
PM Nr : 77760 CAS Nr : 61791-28-4

K B r pellet
403
CAS No. 61791-28-4 PM Ref. No. 77760
POLYETHYLENEGLYCOL ETHER OF TALLOW FATTY

ALCOHOL

412.8 82.2 21.1
424.4 88.2 14.0
580.6 94.9 6.1
723.4 92.9 8.5
843.0 82.3 21.0
951.0 79.3 24.5
1047.5 78.0 26.0
1115.0 15.6 100.0
1282.8 77.7 26.5
1346.5 66.0 40.3
1468.0 64.6 41.9
2855.0 24.2 89.9
2920.6 19.7 95.2
3285.2 86.9 15.6
3343.0 81.4 22.1
3377.8 78.9 25.0
404
Polyethyleneglycol ether of tallow fatty alcohol
33ä 3
I I I ' " · " ' ?' * 1 5 M 5 4
, *9 50
' 5.51
.Η4τ^·/-γ>Μ ; '"|'ϊ ■ .V ι'''ι ι' ;' ' '· -
MIZ Ion Intensity (%) M/Z Ion Intensity (%)
41 16.7 82 25.3
43 36.0 83 28.7
45 ]100.0 85 18.7
55 31.3 87 32.0
57 42.0 88 18.0
59 18.0 89 90.0
69 30.7 96 19.3
71 29.3 97 22.7
72 17.3 133 51.3
73 21.3 177 18.0
Source Temperature 350-400 °C
Scan Range 40-1000
Γ PM n" ^ f CAS n° ^ Name
Ì
[ 77760 J [ 61791-28-4 J Solvent CD CL3
POLYETHYLENEGLYCOL ETHER OF TALLOW FATTY SF 250.13
ALCOHOL SI 16384
SW 3125
NS 32
I I \ Ι Ι Ι Ι Ι Ι Ι Ι Ι Ι Ι Γ'ΤΤΐ Ί Ι' ΓΤ~|—Π Τ Τ Ι Ι Τ f I Ι Γ Τ Γ Τ Ι

JL
τττττ* τ η ι ι
j
ΤΤΊ ι n n-r-
2
Λ
■ I I I I I '
1
L
(ppm)
O
Ui
406
Polyethylene propylene)glycol
CH3
HO-^CH 2 —CH 2 —θ]-- CH—CH 2 —O -CH?—CH?—OH
CAS No. -9003-11-6

PM Ref. No. - 79930
Restrictions - None
Formula -
Molecular weight - 8000- 11000
Alternative names - Poly(oxyethylene)poly(oxypropylene)

block copolymer
Physical Characteristics - White flakes, mp 55 - 60°C.


Safety - Low toxicity.

Applications - PS, PVC, PE, PP.
GC Retention time -
105.000
90.000 _
75.000
60.000
45.000
30.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : POLYfETHYLENE PROPYLENE)GLYCOL
PM Nr : 79930 CAS Nr : 9003-11-6

KBr pellet
4^
O
-J
408
CAS No. 9003-11-6 PM Ref. No. 79930

418.6 79.2 33.3
843.0 61.3 62.0
447.2 71.8 45.2
962.6 65.2 55.8
1061.0 57.6 67.9
1113.1 37.6 100.0
1149.7 50.7 79.0
1242.3 71.8 45.2
1280.9 63.9 57.9
1344.6 58.8 66.0
1360.0 69.0 49.7
1468.0 65.8 54.8
2743.1 87.2 20.5
2851.1 47.6 84.0
2891.7 47.0 84.9
2916.7 43.4 90.7
409
%ig» 45 73
219 2 5 ' 28»
iüiiiXâX 309 341 368
Ml
MIZ Ion Intensity (%) M/Z Ion Intensity (%)
41 20.0 73 100.0
42 11.3 87 63.3
43 40.0 88 14.0
44 23.3 89 56.7
45 99.3 99 12.7
57 24.0 101 26.0
58 21.3 103 25.3
59 66.0 115 18.0
71 16.7 117 33.3
72 21.3 133 26.7
Scan Range 40-1000
5
PMn° ^
79930 I
Γ CAS n°
[9003-11-6
^
J
Name
POLYETHYLENE PROPYLENEGLYCOL)
] Solvent
SF
SI
SW
CDCL3
250.13
16384
6494
J
NS 24
Jy
8.5 7.0 6.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
411
Polyolefins
CnH(n+2
CAS No. - 68037-12-7

PM Ref. No. - 80550
Restrictions - None
Formula " *-η"(η+2)
Molecular weight - 500 - 600
Alternative names Poly(decene-l), hydrogenated
Physical Characteristics Colourless liquid, mp approx -68°C.

Safety
Current uses Release agent.

Applications PS, PP, PE.
GC Retention time
4^
I—'
to
105.000
B8.000 _
71.000
™ 54.000
37.000 _
20.0.00
3280.00 2560.00 1840.00 1120.00 400.0
4000.00
Name : POLY-a-OLEFINS
PM Nr : 80550 CAS Nr:68037-12-7

KBr pellet
413
CAS No. 68037-12-7 Pm Ref. No. 80550
POLY-a-OLEFINS

723.4 90.9 11.8
802.5 75.8 31.5
1022.4 77.9 28.8
1095.7 78.8 27.6
1261.6 79.0 27.3
1466.1 70.6 38.3
2855.0 40.6 77.3
2924.4 23.2 100.0
2959.2 43.9 73.0
414
Polyolefins
Sij.-,
1
'I i' i'
900
43 38.0 113 24.7

55 18.0 127 18.0
57 1 00.0 141 16.7
69 20.6 155 16.0
71 86.0 169 15.3
83 21.3 183 14.0
85 66.0 197 13.3
97 20.7 211 12.7
99 30.7 225 12.7
111 14.7 239 12.7
Scan Range 40-1000
PMn°
80550 ) ' CAS n"
68037-12-7
^
J
Name
POLY-a-OLEFINS
)
Solvent
SF
CDCL3
250.13
SI 16384
SW 6494
NS 16
8-5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0
ÜVJLJ
1.5 1.0 0.5 0.0
(ppm)
4^
H-
L/l
416
Poly[6t(l,l,3,3tetramethylbutyl)amino]l,3,5triazine2,4diyl][(2,2,6,6tetra
methyl4piperidyl)imino]hexamethylene[(2,2,6,6tetramethyl4pïperidyl)imino]
Ν-ΗΤΗ24-1Γ^Ν.
Mi
C e H,
CAS No. 71878-19-8

PM Ref. No. 81200
Formula C35H6JNS when n= 1
Molecular weight 600 when n= 1
Alternative names
Physical Characteristics - Slightly yellow granules, mp 100 - 135°C.

Handling
Availability
Current uses
Applications - Light stabilizer.
- General use.
GC Retention time
105.000
84.000 _
63.000 _
¡5 42.000 _
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm'1
Name : POLY[6-(Ll,3,3,TETRAMETHYLBUTYL)AMINO]-l,3,5-TRIAZINE-2,4-DIYLl-r(2 2 6 6-
MCT L PIPEWDYL)IMIN0]H
¡Srøi ^ ^" ^
PM Nr : 81200 CAS Nr:71878-19-8
KBr pellet
4^
418
CAS No. 71878-19-8 PM Ref. No. 81200
POLY[6-[(1,1,3,3TETRAMETHYLBUTYL)AMINO]-1,3,5-TRIAZINE-
2,4-DIYL]-[(2,2,6,6-TETRAMETHYL-4-PIPERIDYL)IMINO]
HEXAMETHYLENE[(2,2,6,6-TETRAMETYL-4-PIPERIDYL)IMINO]

424.4 90.0 10.7
478.4 73.2 28.7
611.5 94.8 5.6
644.3 82.1 19.2
696.4 85.1 16.0
810.2 53.9 49.4
804.7 87.9 13.0
1014.7 80.7 20.7
1082.2 73.5 28.4
1130.4 82.6 18.6
1165.2 61.2 41.6
1203.7 47.0 56.8
1221.1 39.5 64.8
1240.4 34.7 70.0
1307.9 31.7 73.2
1365.8 19.6 86.2
1423.6 14.4 91.7
1483.4 7.20 99.5
1531.7 6.70 100.0
1570.3 11.6 94.7
1555.1 68.9 33.3
1701.4 82.2 19.1
2862.7 46.5 57.3
2932.2 22.7 82.9
2955.3 19.3 86.5
2325.7 87.0 13.9
3443.4 73.7 28.2
3856.2 91.1 9.5
419
Poly[6-[(l, 1,3,3-tetramethylbutyl)amino]-l ,3,5-triazine-2,4-diyl]-[(2,2,6,6-tetra-

memyl-4-piperidyl)-irrüno]hexamethylene[(2,2,6,6-tetramethyl-4-piperidyl)irnino]
- f x ^ *» ι
4 ι ilyiiL ίι| j » II 525 550 ~s35 600
2S0 275 300 325
41 33.4 321 25.8

42 27.1 458 16.5
43 35.3 459 19.6
55 39.7 460 96.8
57 39.6 461 29.4
58 1 00.0 527 16.9
69 20.8 541 26.7
83 16.6 583 17.3
98 41.5 598 58.3
124 62.6 599 24.6
Scan Range 25-1000
to
O
PMn° ^1 ( CAS n° Λ Name

POLY[6-[(l,l,3,3-TETRAMETHYLBUTYL)AMINO]-l,3,5-TRIAZINE-
IAZINE- I Solvent CDCL3
81200 J [ 71878-19-8 J SF 250.13
2 4-DIYL]-[(2,2,6,6-TETRAMETHYL-4-PIPERIDYL)-IMINO]
HEXAMETHYLENE[(2,2,6,6-TETRAMETHYL-4-PIPERIDYL)-IMINO]
,)-IMIN0] I SI 16384
SW 3125
NS 36
421
Sebacic acid, bis(2-ethylhexyl) ester
0 0
Il , -.H
C4H9—CH—CH2—0—C-fCH2t-C—0—CH2—CH—C4H9
Λ
C2H5 C2H5
CAS No. 00122-62-3

PM Ref. No. 85120
Restrictions SML = 3 . 0 m g / k g
Formula C26H50O4
Alternative names Decanedioic acid, bis(2-ethylhexyl) ester

Di(2-ethylhexyl) sebacate
Physical Characteristics Colourless liquid, mp -48 C C,

bp 212°C (1 mm Hg).
Soluble in alcohol, acetone, benzene, ether.

Safety

Applications PVC, PVDC, coatings.

io
to
105 000
86.000
67.000
48.000
29.000 _
10.000
4000 00 3280.00 2560.00 1840.00 1120.00 400.0
cm'
Name : SEBACIC ACID, BIS(2-ETHYLHEXYL) ESTER
PM Nr : 85120 CAS Nr : 00122-62-3

KBr pellet
423
CAS No. 00122-62-3 PM Ref. No. 85120
SEBACIC ACID, BIS(2-ETHYL-HEXYL) ESTER

416,7 74,5 31,3
428,3 70,5 36,2
1097,6 85,7 17,5
1130,4 78,8 26,0
1174,8 44,7 67,8
1240,4 63,2 45,1
1358,1 81,0 23,3
1381,2 75,8 29,7
1419,8 86,7 16,3
1464,2 60,2 48,8
1738,1 18,4 100,0
2860,8 42,9 70,0
2930,2 22,5 95,0
2959,2 30,8 84,8
424
Sebacic acid, bis(2-ethylhexyl) ester
100
40 -
315
I
121 139 166 297
1
il ! 255
Ι Γ
26B 316 426
JUML ■ I '
100 200 300 400
43 48.9 98 21.0
55 49.7 112 46.3
56 19.5 113 17.3
57 87.0 185 100.0
69 23.8 186 11.6
70 64.5 203 5.2
71 45.0 297 8.1
83 21.9 315 10.7
84 13.9 426 0.7
97 16.1

Scan Range 40-500
PM n"
85120
CASn°
00122-62-3
D Name
SEBACIC ACID, BIS (2-ETHYL-HEXYL) ESTER
} Solvent
SF
SI
CDCL3
250.13
16384
sw 3125
NS 32
IlL 11) I
|'l 1 1 r ι τ π τ ρ Ι Ι Ι Ι Ι Ι 1Ί ι ι ι ι ι ι ι ι ι ι ι I I I I 1 ι ι τ ι ι I I 1 I I l'I I I") r I 1' 1 Ί ι ι ι ι ι ι ι ι —ι ι Ι ι ι ι ι ι ι ι ι ι ) ι ι ι τ τ Ï -ι ι ι ι rr r t-
2 1 0
(ppm)
to
L/l
426
Sebacic acid, dibutyl ester
0 0
il
C4H9—O—C-^CH2)—C—O—C4Hç
CAS No. 00109-43-3

PM Ref. No. 85360
Formula C,8H3404
Alternative names - Dibutyl sebacate, Decanedioic acid dibutyl ester
- Soluble in ether, alcohol, acetone, benzene.

Handling
Availability
Current uses
- PVC, PVDC.
105.000
89.000
73.000 _
S 57.000 _
41.000 _
25.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : SEBACIC ACID, DIBUTYL ESTER
PM Nr : 85360 CAS Nr : 00109-43-3

K B r pellet
4X
to
-J
428
CAS No. 00109-43-3 PM Ref. No. 85360
SEBACIC ACID, DIBUTYL ESTER

409.0 84.7 21.1
474.6 94.3 7.9
499.6 94.3 7.9
511.2 94.3 7.9
951.0 92.1 11.0
1024.3 84.3 21.8
1064.8 84.2 21.9
1097.6 81.2 26.0
1130.4 79.0 29.0
1174.8 52.6 65.6
1242.3 68.6 43.4
1356.1 83.0 23.5
1419.8 88.5 15.9
1466.1 76.9 32.0
1738.1 27.8 100.0
2858.9 70.2 41.2
2934.1 48.6 71.1
2959.2 52.9 65.2
429
Sebacic acid, dibutyl ester
80 -
98 12.5 143
138
73 83
I ' 121.
Ill
I 4X 1^
200 Tf
1
300
I ''
50 150
250
41 56.4 125 23.5

55 45.3 143 25.9
56 49.0 166 16.9
57 36.6 185 71.6
69 21.3 186 10.0
83 16.1 199 21.3
97 25.1 241 100.0
98 25.4 242 15.6
121 10.7

Scan Range 25-500
LO
0
PMn-
85360
CAS n"
00109-44-3
}
Name
SEBACIC ACID, DIBUTYL ESTER
i Solvent
SF
SI
CDCL3 |
250.13
16384 1
sw 3125 1
NS 32 1
) Γ 1 I Γ ι τ ι τ ι ι 1 ι τ I 1 I 1 ΊI - ρ Τ Γ Τ Τ
7
J ι τ I I I I I - T - t TT t I I
(ppm)
431
Sorbitan monolaurate
CH 2 —O-C-CuH 2 3
HO--CH n H
<XOH ny
H H
W
H OH
CAS No. - 01338-39-2

PM Ref. No. - 87600
Restrictions - None
Formula - C lg H340 6
Alternative names - Sorbitan monododecanoate
Physical Characteristics - Yellow liquid, solidification point approx. 19°C.

- Soluble in 2-ethoxy ethanol, methanol, ethanol,
ether.

Safety
Current uses - Emulsifier.

GC Retention time
4^
LO
to
105.000
84.000
63.000 _
™ 42.000
21.000 _
0 000
4000.00 3280.00 2560.00 1840.00 1120.00 400 0

-1
cm
Name : SORBITAN MONOLAURATE
PM Nr : 87600 CAS Nr:01338-39-2

K B r pellet
433
CAS No. 01338-39-2 PM Ref. No. 87600
SORBITAN MONOLAURATE

978.0 93.3 7.5
1012.8 86.3 15.4
1076.4 61.1 43.8
1174.8 66.4 37.8
1379.3 77.5 25.3
1417.9 80.6 21.8
1468.0 64.2 40.3
1741.9 34.5 73.7
2855.0 26.3 82.9
2924.4 11.1 100.0
3159.8 84.0 18.0
3296.8 51.8 54.2
3339.2 46.2 60.5
434
Sorbitan monolaurate
ftage
¡
, *P 5",V
383 411 439 »»' " 538
538 5j
67
41 43.3 85 66.0
43 83.3 86 29.3
45 37.3 97 39.3
55 54.7 98 30.0
57 100.0 103 25.3
69 70.7 110 35.3
71 30.0 111 21.3
73 42.0 128 75.3
83 90.7 129 28.7
84 91.3 183 50.7
Scan Range 40-1000
PMn°
87600 ) ' CAS n"
^ 01338-39-2
"|
J
Name
SORBITAN MONOLAURATE
] Solvent
SF
CDCLj
250.13
SI 16384
SW 2380
NS 32
p m ι ι ι ι ι | r Τ 1 Ί τ ι Ι Τ Τ I IT I 1 I I 'I l ' I
u
Γ Ι" Ι Ι' Ι Γ ι I "I I' 1 I '1 I I I ] ι ι ι I
7 6 3 2 1 0
(ppm)
4*.
LO
Ut
436
Sorbitan monooleate
C H2 — O — C - ^ C H 2 ) — C H ^ C H - ( C H 2 ) - C H 3
H OH
CAS No. - 01338-43-8

PM Ref. No. - 87680
Restrictions - None
Formula - C 2 4 H440 6
Alternative names - Sorbitan mono-9-octadenenoate
Physical Characteristics - Yellow liquid.

ether.
Handline - Store at room temperature.

Safety
Current uses - Emulsifier

GC Retention time -
105.000
84.000
63.000
S 42.000 _
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm'1
Name : SORBITAN MONOOLEATE
PM Nr : 87680 CAS Nr:01338-43-8

KBr pellet
4^
LO
438
CAS No. 01338-43-8 Pm Ref. No. 87680
SORBITAN MONOOLEATE

410.9 83.2 18.6
723.4 93.6 7.1
846.9 83.1 18.7
949.1 67.0 36.5
1109.2 9.7 100.0
1250.0 56.0 48.8
1300.2 62.9 41.1
1350.3 57.1 47.6
1462.2 61.1 43.1
1738.1 51.0 54.3
2754.7 86.5 14.9
2860.8 18.4 90.4
2924.4 17.4 91.5
3238.9 83.6 18.2
3329.5 73.2 29.7
439
Sorbitan monooleate
%age
41 17.3 73 38.7
43 30.0 81 13.3
45 100.0 83 18.0
50 10.0 84 13.3
55 26.7 87 25.3
57 20.0 89 41.3
59 12.0 97 14.7
69 27.3 98 12.7
70 10.7 99 12.0
71 12.0 133 22.7
Scan Range 40-1000
t
o
PMn°
87680
CASn°
01338-43-8
K Name
SORBITAN MONOOLEATE
]
y ~
Solvent
SF
SI
CDCLj
Λ
250.13
16384
SW 3125
NS 12
J
ÌLA^JUL_
ι 11 ι ι 11 11 11 111 111 I I I I II 111 11 I I I I I 11111111 1111 I I
5.0 4.0 3.0 2.0 1.0
_A—·—J
-r-i—r-i—ι—ι—ι—ι—r—ι—η—ι ι ι—ι—ι- ι ι ι ι ■ ι ι ι ■ ι Ι ι ι ι ι ι ι ι ι ι I
R 7
ΙΡΡΓ'.ι
441
Sorbitan monostearate
ÇH2—O—C—C17H35
HO- - C H 0 H
»TT» H OH
CAS No. - 01338-41-6

PM Ref. No. - 87840
Restrictions - None
Formula - C24H4606
Alternative names - Sorbitan monooctadecanoate
Physical Characteristics - Pale waxy beads, mp 56 - 58°C.

ether.

Safety - Low toxicity.
Current uses - Emulsifier.

GC Retention time
to
105.000
84.000
63.000
ra 42.000 _
21.000 _
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"1
Name : SORBITAN MONOSTEARATE
PM Nr : 87840 CAS Nr:01338-41-6

K B r pellet
443
CAS No. 01338-41-6 PM Ref. No. 87840
SORBITAN MONOSTEARATE

611.5 93.4 6.8
721.5 60.2 41.0
781.3 86.4 14.0
887.4 84.9 15.6
922.1 92.1 8.1
983.8 77.8 22.9
1064.8 42.9 58.9
1178.7 31.4 70.7
1197.9 38.2 63.7
1221.1 46.7 55.0
1244.2 50.3 51.2
1379.3 54.4 47.0
1417.9 56.1 45.2
1468.0 30.3 71.8
1738.1 18.5 83.9
2851.1 4.8 98.1
2916.7 3.0 100.0
3308.3 37.67 64.2
444
Sorbitan monostearate
%agu
f · " 467 523 551 565
LXxX
'Ί ' ι ' ' Ί
500
'i'I' '
600
41 33.3 85 70.0
43 86.7 87 36.0
45 70.0 89 34.7
55 58.0 97 48.0
57 94.0 98 62.0
69 1 00.0 99 30.7
71 56.0 111 34.0
73 70.7 128 95.3
83 40.0 129 45.3
84 25.3 239 33.3
Scan Range 40-1000
f PM n° ^ ( CAS n° ^ Name
{ 87840 J [ 01338-41-6 j SORBITAN MONOSTEARATE Solvent CDCI3
) SF 250.13
SI 8192
SW 2380
NS 32
Ι ι ι ι ι τ ι ΤΊ·Ι ·\ ι ι ι ι ι ι ι ι ι ■]■ r - i ι ι ι r ι
VJ
ι Ι ι ι ι ' ι ι ι ι ι Ιι ι ι Ι ι ι ιι
8 7 6 5 0
(ppm)
Lfl
446
Stearamide
CH3-(CH¡)-C—NH2
■^16
CAS No. 00124-26-5

PM Ref. No. 88960
Restrictions None
Formula C18H37NO
Alternative names Octadecanoic acid, amide
Physical Characteristics Slightly yellow cristalline powder, mp 109°C,

bp250-251°C.

Safety
Current uses Antistatic agent, anti- slipping and blocking

agent.
Applications
Polyolefms.
GC Retention time
44.5 min.
Note
Stearamide contains palmitamide.
105.000
84.000 _
63.000
ra 42.000 _
21.000 _
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : STEARAMIDE
PM Nr : 88960 CAS Nr : 00124-26-5

K B r pellet
4^
4i
448
CAS No. 00124-26-5 PM Ref. No. 88960
STEARAMIDE

434.0 90.8 9.6
441.8 88.4 12.1
524.7 85.9 14.7
549.8 78.7 22.2
650.1 39.7 62.9
719.5 52.9 49.1
800.6 74.7 26.3
1120.8 65.1 36.4
1188.3 67.7 33.6
1207.6 68.9 32.4
1228.8 68.9 32.4
1286.7 72.5 28.7
1306.0 69.2 32.1
1323.3 69.4 31.9
1377.3 75.6 25.4
1421.7 25.0 78.2
1469.9 21.5 81.9
1643.6 7.0 96.9
2849.2 5.8 98.2
2918.7 4.0 100.0
3194.5 30.9 72.0
3316.0 62.0 39.6
3393.2 16.8 86.7
449
Stearamide
60 -
40
41
Ί 55Π
29 69 128
98 114 240 28_3_
,Ι
142 156 170 184 198 212 Ι 254 266
"Π"Ι, . .' . , .
100 150 200 250
29 10.2 60 18.3
41 21.3 72 64.9
43 36.2 128 8.9
44 11.6 240 3.9
55 17.5 283 4.3
57 15.3 284 0.7
59 100.0

Scan Range 25-500
Ut
O
Γ PM η° ^
[ 88960 J
Γ CAS η°
^ 00124-26-5
"Ι
J
Name
STEARAMTDE
1 Solvent CDCLjì
SF
SI
250.13
16384 i
sw 3125 I
NS
2
)
lu
ι Ι 1 I ) ι ι ι ι ι-1 [ Ι Ι Ι Γ ι τ τ ι ι ι ι ι ι ι ·
1 I I I I Ι I I I I I I 1 I I
7
(ppm)
451
Stearic acid, butyl ester
O
—
CH- CH2j-C—-o- C4H9
16
CAS No. - 00123-95-5

PM Ref. No. - 89120
Restrictions - None
Formula - C22H4402
Alternative names - Butyl stéarate,

Octadecanoic acid, butyl ester
Physical Characteristics - Colourless liquid, mp 16°C, bp 223°C.
- Soluble in alcohol, ether, acetone.

Handlina
Safety
Availability
Current uses
Applications - Lubricant.
- General use.
Note Contains Palmatic acid, butyl ester.

LU
SJ
105.000
87.000 _
69.000
Si 31. OIK)
33.000
15.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : STEARIC ACID, BUTYL ESTER
PM Nr : 89120 CAS Nr : 00123-95-5

K B r pellet
453
CAS No. 00123-95-5 PM Ref. No. 89120
STEARIC ACID.BUTYL ESTER

474.6 94.8 6.7
509.3 94.6 6.9
526.6 94.7 6.8
534.4 94.4 7.2
544.0 94.4 7.2
551.7 94.6 6.9
561.4 94.1 7.6
571.0 94.2 7.5
1172.9 75.8 31.1
1379.3 84.3 20.2
1468.0 73.1 34.6
1741.9 43.9 72.1
2855.0 41.8 74.8
2926.4 22.2 100.0
454
Stearic acid, butyl ester
56
80 -
43
285
20 60 _71
83 129
87 97 1.15 171 185 34.0_
143 I
15 199 310 327
I
lui li III,, ,,ί,.,Ι. J M
Τ
50
. ί,. ■
Li
M/Z I on I ntensity (%) M/2 Ion I ntensity (%)
41 26.9 171 3.8

42 8.1 185 6.6
43 42.6 199 1.9
55 28.2 241 6.9
56 1 00.0 267 23.4
57 93.4 284 24.0
70 5.8 285 32.7
71 14.9 286 8.0
115 7.1 340 5.8
129 8.4 341 1.7

Scan Range 40-500
PMn°
89120
I
J
f CAS n°
[00123-95-5
^
J
Name
STEARIC ACID, BUTYL ESTER
D Solvent
SF
SI
SW
CDCLj
250.13
16384
6494
NS 16
8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5
u
1.0 0.5 0.0
(ppm)
Ut
Ut
456
Stearic acid, esters with pentaerythritol
c- -CH: - 0 — C -ÍCH^-CH;
V
-^16
CAS No. 08045-34-9 and 00115-83-3

PM Ref. No. 89520
Restrictions None
Formula C77H] 48 U 8
Alternative names Pentaerythritolstearate
Physical Characteristics White crystalline powder, mp approx. 60 °C,

bp approx. 280°C.
Soluble in dichloromethane, chloroform, ether,
toluene, hexane.

Safety
Current uses Release agent.

GC Retention time
105.000
84.000 _
63.000 .
42.000
21.000
O.DOO
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
Name : STEARIC ACID, ESTERS WITH PENTAERYTHRITOL
PM Nr : 89520 CAS Nr : 08045-34-9

KBr pellet
4^
L/l
458
STEARIC ACID, ESTERS WITH PENTAERYTHRITOL

557.5 94.4 6.1
580.6 89.5 11.5
719.5 49.6 55.0
877.7 86.5 14.7
889.3 83.3 18.2
985.7 68.8 34.1
1018.5 60.6 43.0
1062.9 62.2 41.3
1105.4 42.2 63.1
1174.8 28.1 78.5
1197.9 33.2 72.9
1219.2 39.4 66.2
1236.5 40.7 64.7
1361.9 47.4 57.4
1396.6 51.6 52.8
1415.9 54.1 50.1
1471.9 30.0 76.4
1738.1 19.8 87.6
2851.1 13.0 95.0
2916.7 8.4 100.0
PMn° I Γ CAS η° ^1
}
Name Solvent CDCL
89520 Ι [ 08045-34-9 J STEARIC ACID, ESTERS WITH PENTAERYTRITOL SF 250.13
SI 16384
sw 6494
NS 50
i.O 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
L/>
VO
460
Stearoylbenzoylmethane
O O
CH 3 -^CH 2 )—C—CH 2 —C
16
CAS No. 58446-52-9

PM Ref. No. 90720
Restrictions None
Formula C26H4202
Alternative names - l-Benzoyl-2-keto-nonadecane
Physical Characteristics - White powder, mp 56 - 61 °C,

bp 300°C (21 mm Hg).

Safety

Note - Contains also laurylbenzoylmethane.

105.000
87.000
69.000
¡α 51.000
33.000
15.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm
Name : STEAROYLBENZOYLMETHANE
PM Nr : 90720 CAS Nr : 58446-52-9

KBr pellet
4^
Os
462
CAS No. 58446-52-9 PM Ref. No. 90720
STEAROYLBENZOYLMETHANE

420.5 66.5 41.8
729.2 88.2 14.6
762.0 78.8 26.4
771.6 81.7 22.8
1464.2 70.6 36.6
1473.8 73.9 32.6
1493.1 82.8 21.4
1547.1 86.0 17.5
1576.0 82.0 22.4
1626.2 67.9 40.1
2849.2 30.2 87.0
2916.7 19.8 100.0
2955.3 71.6 35.4
463
Stearoylbenzoylmethane
162
80
69
163
97 175 368
83l 133 186 204 218 248 260 I
i l l I .ill -O- ..I, J.,Γ, . !. Γ,
41 11.2 147 32.3

43 20.9 161 16.1
55 11.8 162 100.0
69 29.2 163 11.0
77 9.15 175 6.6
105 83.0 368 3.7
120 11.1 386 2.2

Scan Range 25-500
OS
4^
PMn°
90720 ) ' CAS n°
^ 58446-52-9
^
J
Name
STEAROYLBENZOYLMETHANE
]
y
Solvent
SF
Λ
CDCL3
250.13
SI 16384
sw 6494
J
NS 72
—c
(ppm)
465
Sulphosuccinic acid, bis(2-ethylhexyl)ester, sodium salt
o o
I' il
C4H9—ÇH—CH2—O—C—CH2—CH C—O—CH2—CH—C4H9
I I I
C2H5 0=S=0 C2H5
ONa
CAS No. 00577-11-7

PM Ref. No. 91572
Restrictions None
Formula C20H37NaO7S
Alternative names Docusate sodium
Physical Characteristics Yellow liquid, mp < 0°C, bp 360°C.


Safety Irritant..
Availability Preparation in alcoholic solution.
Current uses Emulsifier, antistatic agent.

Applications Styrene co-polymers, coatings.
GC Retention time
Os
105.000 Os
88.000 _
71.000 _
37.000 _
20.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm"
Name : SULPHOSUCCINIC ACID, BIS(2-ETHYLHEXYL)

ESTER, SODIUM SALT
PM Nr : 91572
CAS Nr:00577-11-7
KBr pellet
467
CAS No. 00577-11-7 PM Ref. No. 91572
SULPHOSUCCINIC ACID, BIS(2-ETHYLHEXYL)ESTER

409.0 90.3 13.1
528.6 87.5 16.9
586.4 88.1 16.1
729.2 88.9 15.0
900.9 73.7 35.5
1018.5 71.1 39.0
1051.3 36.9 85.2
1219.2 26.0 99.9
1381.2 69.8 40.8
1466.1 60.1 53.9
1738.1 25.9 100.0
2862.7 54.9 60.9
2930.2 35.2 87.5
2961.1 32.6 91.0
468
Sulphosuccinic acid, bis(2-ethylhexyl)ester, sodium salt
nói 7û PHS15Í0 Γ7ΪΪ5
>s «.4Kb
ÏÛ. 6.υΚ5
IS 5.7ES
IO. 7 5.4KS
15. -3.0K5
1 2
70. 4.7K5
65. . 4 . «KS
ÍO. 4 .OKS
55. .3.1*5
50. .Í.4K5
45. 3 . DES
10.
I 1 IO
.2.71:5
35. . 2 . JES
30. .2.0*5
b3
25. .1.7E5
20. .1.3*5
211
15. 1 .ULI
I
10. I i n • .7*4
5. , ι
1.4K4
0
4 D *50 lal L
60 7a so
ll.-rvJl
ta ι ui
o ile
1ÌO 1 3 0 lJo"HO lib'
Ίνη,νΓΐ 1 .'. r
170 1Ì0 1 u* "á¿V "i!0 2 3 0 ι:
r
¿"sTo^ÍVo^íóVÍÓ' 2¡Ú '
,. r ,., .Ο.ΟΚΟ
50 3 0 »/i
41 43.7 82 18.5
42 9.2 83 26.8
43 41.0 84 14.9
44 12.5 85 10.2
55 46.5 99 25.2
56 21.8 100 37.9
57 79.2 112 71.4
69 23.2 113 17.9
70 1 00.0 117 9.0
71 38.4 211 18.2
Scan Range 40-1000
ί ΡΜη° ^ Γ CAS η° "| Name "Ν
^ 91572 J [ 00577-11-7 J SULPHOSUCCINIC ACID, BIS(2-ETHYLHEXYL) ESTER, Solvent CD3OD
SODIUM SALT SF 250.13
SI 16384
SW 3125
NS 64
4^
Os
SO
470
Tetrakis(2,4-di-tert-butylphenyl)-4,4'-biphenylylene diphosphonite
9 t e r e . Butyl
Ό
t e r t . Butyl
CAS No. 38613-77-3

PM Ref. No. - 92560
Formula - C-68H92Ö4P2
Alternative names
Physical Characteristics Slightly yellow pastilles, mp 75 - 95°C.


Safety
Current uses Plastic stabilizer.

Applications Polyolefins, styrene co-polymers, PC.
GC Retention time
Note Also known as CAS No. 118578-01-1 and

119345-01-6
Contains PM Ref. No. 74240
105.000
91.000 _
77.000 _
¡3 63.000
49.000
35.000
4000.00 3284.00 2568.00 1852.00 1136.00 420.0
cm'
Name : TETRAKIS (2,4-DI-TERT-BUTYLPHENYL)-4,4'-BIPHENYLYLENE DIPHOSPHONITE
PM Nr : 92560 CAS Nr:38613-77-3

KBr pellet
472
CAS No. 38613-77-3 PM Ref. No. 92560
TETRAKIS (2,4-DI-TERT-BUTYLPHENYL)-4,4'-BIPHENYLYLENE
DIPHOSPHONITE

451.4 94.7 8.8
463.0 94.4 9.2
495.8 86.4 22.6
538.2 91.3 14.4
576.8 87.8 20.2
644.3 82.2 29.5
688.7 75.1 41.3
771.6 64.2 59.4
814.1 67.0 54.7
850.7 43.8 93.1
889.3 80.1 33.0
906.7 63.7 60.1
1084.1 47.8 86.5
1124.6 75.7 40.3
1155.5 75.6 40.4
1192.2 48.0 86.3
1211.4 51.2 80.8
1248.1 66.63 55.3
1275.1 66.38 55.7
1361.9 64.96 58.1
1400.5 70.49 48.9
1462.2 70.41 49.0
1493.1 46.57 88.5
1601.1 85.27 24.4
1728.4 84.57 25.6
2868.5 62.80 61.6
2907.1 59.82 66.6
2959.2 39.66 100.0
473
Tetrakis(2,4-di-tert-butylphenyl)-4,4'-biphenylylenediphosphonite
rooç ■ »X10Ò. 5.3E5
95. 5.0E5
90. 4.7E5
85. 4.5E5
βο. 4.2E5
75. ^3.9E5
70. 3.7E5
G5. 3.4E5
60, 3.2E5
55. 2.9E5
50. 2.6E5
4 5. 2.4E5
40 2.1E5
35. 1.8E5
30. ,1. 6E5
25. 1.3E5
20 1.1E5
15. .7. 9E4
10 5.3E4
5 2.6E4
mSMo A*W *Λ , )
6θ' 4Ò0 5Ò0 6ÒO ' 7Ò0 ' 'βΟθ 90θ'
LO.OEO
1100 Μ/Ζ
41 8.4 191 84.3

43 54.3 192 11.9
55 8.3 206 13.2
57 100.0 333 8.2
58 28.1 389 20.1
74 5.4 390 6.6
91 9.2 441 77.3
147 15.1 442 27.0
149 6.7 646 8.1
175 6.1
Scan Range 40-1000
4^
]
( PM n° ^ f CAS n° Λ Name
^ 92560 \ y 38613-77-3 J TETRAKIS(2,4-DI-tert-BUTYL-PHENYL)-4,4,-BIPHENYL YLENE DIPHOSPHONITE
Solvent CDCLj
SF 250.13
SI 16384
SW 3125
NS 32
I τ > τ ι τ τ ι i'i i n TIT r ι ' I T T I ι ι ι π ι ι ι [ m ι ι τττ-Γττ-

ο
(ppm)
475
4,4'-Thiobis(6-tert-butyl-3-methylphenol)
tert. Butyl tert. Butyl
CH3 CH3'
CAS No. 00096-69-5

PM Ref. No. 92800
Formula C22H3oC2î>
Alternative names 4,4'-Thiobis(6-tert-butyl-m-cresol), Di(2-methyl-

4-hydroxy-5-tert-butylphenyl)thioether
Physical Characteristics White to light yellow crystalline powder,

mp > 158°C.

Safety

Applications - Polyolefins, styrene co-polymers.

-t>.
-o
105 000
*W^
Λ/ν
84 000
63 000
¡5 42 000
21 000
0 000
1
4000 00 3280 00 2560 00 1840 00
Name:4,4'-THIOBIS(6-Tert-BUTYL-3-METHYLPHENOL)
PM Nr : 92800 CAS Nr : 00096-69-5

KBr pellet
477
CAS No. 00096-69-5 PM Ref. No. 92800
4,4'-THIOBIS(6-tert-BUTYL-3-METHYLPHENOL)

426,3 19,3 82,8
461,0 40,7 60,8
511,2 60,3 40,7
571,0 30,8 71,0
586,4 41,5 60,0
628,9 45,0 56,4
735,0 63,9 37,0
848,8 17,6 84,5
898,9 24,4 77,6
933,7 74,9 25,8
995,4 73,8 26,9
1014,7 49,5 51,8
1028,2 51,4 49,9
1099,6 13,7 88,5
1169,0 4,9 97,6
1186,4 2,5 100,0
1199,9 2,6 99,9
1255,8 8,1 94,3
1265,5 7,1 95,3
1315,6 46,9 54,5
1371,6 2,5 100,0
1446,8 9,6 92,8
1483,4 16,1 86,1
1495,0 15,5 86,7
1562,5 27,8 74,1
1601,1 31,0 70,8
2708,4 85,6 14,8
2868,5 20,8 81,3
2916,7 15,5 86,7
2961,1 6,0 96,4
3001,6 31,3 70,5
3065,3 81,4 19,1
3117,4 81,4 19,1
3296,8 8,6 93,8
3510,9 6,6 95,8
478
4,4'-Thiobis(6-tert-butyl-3-methylphenol)
40
136 343
I
150
41 57 I 179 195
Γ 77 115 I
In. ¡ill .
50
ιΧ 100
' I'
300 350
41 4.8 195 5.0

57 8.1 343 24.3
91 4.1 344 5.4
136 26.6 358 100.0
150 9.5 359 20.6
164 17.4 360 6.3
179 8.0

Scan Range 35-500
]
Γ PM η° ^ f CAS η° ^ Name
{ 92800 J ^ 00096-69-5 J 4,4'-THIOBIS(6-TERT-BUTYL-3-METHYLPHENOL) Solvent CDCL3
SF 250.13
SI 16384
SW 3125
NS 64
I I I I 1 I I I I I J I T I I I M ' i | Ι Ι Τ Γ Γ Γ Ί I I | I I I I I I I
^JL
M i l ' .
υ J 6 1
(PP*)
4^
so
480
Thiodiethanol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate)
tert. Butyl
CH2—CH2—C—O—CH2—CH2-
tert. Butyl
CAS No. 41484-35-9

PM Ref. No. 92880
Formula C^HjgOgS
Alternative names Benzeneprop ano ic acid, 3,5(l,l-dimethylethyl)-

4-hydroxy-,thiodi-2,1-ethanediyl ester
Physical Characteristics White cristalline powder, mp 63 - 67°C.


Safety Toxic.

Applications Styrene co-polymers, polyolefms.

105 000
B6 000 _
67 300
S 48 300
29 300
10 300
4000 00 3280.CO
Name :TH10DIETHAN0L BIS(3-(3,5-DI-Tert-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
PM Nr : 92880 CAS Nr:41484-35-9

KBr pellet
4^
oo
482
CAS No. 41484-35-9 PM Ref. No. 92880
THIODIETHANOLBIS(3-(3,5-DI-tert-BUTYL-4-
HYDROXYPHENYDPROPIONATE
410,9 88,7 13,2
436,0 84,3 18,3
464,9 83,6 19,1
619,2 86,6 15,6
642,4 80,4 22,9
671,3 89,1 12,7
767,8 63,5 42,6
829,5 90,4 11,2
848,8 85,4 17,0
879,7 57,3 49,8
904,7 86,9 15,3
931,7 80,2 23,1
966,5 78,9 24,6
985,7 66,6 38,9
1026,3 78,6 25,0
1055,2 52,0 56,0
1120,8 26,6 85,6
1147,8 19,1 94,3
1186,4 28,4 83,5
1203,7 24,1 88,5
1236,5 30,5 81,0
1273,2 62,5 43,7
1286,7 44,2 65,1
1300,2 58,1 48,9
1346,5 45,9 63,1
1361,9 52,2 55,7
1379,3 41,2 68,6
1435,2 24,6 87,9
1738,1 14,3 99,9
2882,0 44,1 65,2
2914,8 36,1 74,5
2937,9 29,7 82,0
2955,3 24,6 87,9
3454,9 83,9 18,8
3591,9 35,9 74,7
483
Thiodiethanol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate)
1.417
.1.317
1.3Β7
í.W
1.117
1.1Ε7
.9.916
.5-IKS
Β. 516
7.816
7.116
.6.316
.5.616
.4.916
.4.216
.3.516
.2.616
-2.116
1.416
7. IES
J U J U J Í Χ ,Ι _^_ .0.010

0 300 350 400 450 500 550 600 650 700 ■/
41 41.1 219 67.5

43 34.4 233 20.9
55 30.1 249 39.9
57 1 00.0 263 91.4
87 32.5 278 25.8
105 24.5 304 20.9
145 25.2 308 39.9
147 31.3 364 20.9
203 39.3 642 13.5
217 23.9 643 4.8
Scan Range 40-1000
oo
4^
PMn°
92880 J
I Γ CAS η° ^
[ 41484-35-9 J
Name
THIODIETHANOL BIS(3-(3,5-D I-TERT-BUTYL·
r
Solvent
Λ
CDCL3
4-HYDROXYPHENYL) PROPIONATE) SF 250.13
) SI 16384
SW 3125
^s 44
J
ΓΤΤΤΤΠΤΡΓρ
=ß I
(ppm)
485
Thiodipropionic acid, didodecyl ester
S — C H ? — C H ? — C — O — C 1122Hn 2 b
CAS No. 00123-28-4

PM Ref. No. 93120
Formula ^3οΗ 58 ϋ 4 ο
Alternative names - Propanoic acid, 3,3'-thiobis-, didodecyl ester

Handling
Availability
Current uses
Applications - Co-stabilizer.
- General use.
4^
oo
105.000 Os
88.000
71.000
¡5 54.000 _
37.000 _
20.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0

cm"1
Name : THIODIPROPIONIC ACID, DIDODECYL ESTER
PM Nr : 93120 CAS Nr : 00123-28-4

K B r pellet
487
CAS No. 00123-28-4 PM Ref. No. 93120
THIODIPROPIONIC ACID, DIDODECYL ESTER

436 78,2 29,4
501,6 93,7 8,5
675,2 92,0 10,8
719,5 77,2 30,8
785,1 75,9 32,5
933,7 82,8 23,2
954,9 79,8 27,3
964,5 77,5 30,4
983,8 83,8 21,9
1016,6 84,6 20,8
1051,3 74,4 34,6
1101,5 85,4 19,7
1172,9 26,0 99,9
1238,5 40,8 79,9
1352,3 47,8 70,5
1396,6 74,4 34,6
1423,6 69,0 41,9
1466,1 65,7 46,3
1738,1 27,9 97,3
2851,1 33,1 90,3
2918,7 26,0 100,0
2955,3 43,0 77,0
488
Thiodipropionic acid, didodecyl ester
80
60
69 143
97
105
I
201 241 273 329 514
100
u Lu-j ,■,', r _,- r
r
i347
η
ΗΓΓ
400
' ι■
50O
300
M/Z Ion I ntensity (%) M/Z Ion I ntensity (%)
43 82.7 97 35.9
55 100.0 105 12.2
56 30.5 111 11.9
57 79.9 132 18.3
69 41.5 143 37.6
71 38.6 161 23.8
73 24.0 178 29.7
83 28.8 329 5.5
85 19.2 514 3.8
89 21.4 515 1.2

Scan Range 35-600
PMn°
93120
f CAS n°
[ 00123-28-4
^
J
Name
THIODIPROPIONIC ACID, DIDODECYL ESTER
] Solvent
SF
SI
CDCI3
250.13
16384
sw 3125
NS 24
[ττι τττ ι ι ι ι ι ι ι ι \ τ τ τ η τ τ π
3 7 6 5 4
Jul
3 2
u
r n Τ Ι Τ ' Π ι ι τ ι r Τ Ί | "'"'"'' ' " Π Τ Ί Ι | Ι Ι Ι Ι Ι Ι Ι Ι Ι | Ι Ι Ι Ι Τ Γ Ι Ι Τ' [ Ι Τ Τ Ι Ι Τ Ï Τ Ι Γ Τ Τ Π Γ Τ Τ~ΤΤ| Τ Ι Ι Τ
1 0
(ppm)
00
SO
490
Thiodipropionic acid, ditetradecyl ester
O
il
"CH; "CH; - C — O — C i1d4Hn 2 9
CAS No. 16545-54-3

PM Ref. No. 93360
Formula OMH^C^S
Alternative names - Propanoic acid, 3,3'-thiobis-, ditetradecyl ester
Physical Characteristics - White crystalline powder, mp 50°C.

Handling
Availability
Current uses
Applications - Stabilizer.
- General use.
105.000
84.000
63.000
S 42.000 _
21.000
0.000
4000.00 3280.00 2560.00 1840.00 1120.00 400.0
cm '
Name : THIODIPROPIONIC ACI D, DI TETRADECYL ESTER
PM Nr : 93360 CAS Nr : 16545-54-3

K B r pellet
■f*
492
CAS No. 16545-54-3 PM Ref. No. 93360
THIODIPROPIONIC ACID, DITETRADECYL ESTER

412.8 86.2 14.0
439.8 87.1 13.1
451.4 74.5 26.0
719.5 62.6 38.0
729.2 65.5 35.1
785.1 65.4 35.2
954.9 68.0 32.5
964.5 63.0 37.7
989.6 78.3 22.1
1032.0 79.9 20.5
1049.4 54.6 46.2
1072.6 70.1 30.4
1107.3 79.3 21.1
1172.9 3.6 98.0
1238.5 11.6 89.9
1259.7 55.5 45.2
1352.3 19.5 81.9
1396.6 57.0 43.7
1423.6 50.8 50.0
1464.2 40.5 60.5
1473.8 39.3 61.7
1738.1 7.3 94.2
2330.3 87.3 13.0
2849.2 3.0 98.6
2918.7 1.7 100.0
2955.3 12.8 88.7
3441.4 91.2 8.9
493
Thiodipropionic acid, ditetradecyl ester
100
178
I
105
I
195 269
229 301
1
I ·
300
43 100.0 97 17.7
55 89.8 105 9.0
57 76.4 133 32.7
69 35.2 143 31.1
71 29.8 161 17.5
73 25.7 178 27.2
82 10.1 269 4.5
83 25.3 357 5.4
85 15.5 570 3.0
89 17.2

Scan Range 40-700
■1^
VO
fPMn° ^ f CAS n° "l Name

[ 93360 J ^ 16545-54-3 J TEQODIPROPIONIC ACID, DITETRADECYL ESTER Solvent CDCL31
) SF 250.13
SI 16384 1
SW 3125 i
NS
2
)
I I I
y" |" I I I Τ 1 Τ Τ '1
7 I 0
(ppm)
495
Triethyl acetylcitrate
ο
il
0 CH 2 —C—O—C2H5
HI
C2H5—O—C—C—O—C—CH3
I li
c =2o
CH 0
1
0
C2H5
CAS No. - 00077-89-4

PM Ref. No. - 94240
Restrictions - None
Formula - (_14Η22υ8
Alternative names - 1,2,3-Propanetricarboxylic acid, :

triethyl ester
Physical Characteristics - Colourless liquid.

bp 228 - 229°C (100 mm Hg).

Safety


VO
Os
105.000
86.000
67.000 _
48.000 _
29.000 _
10.000
4000.00 3280.00 2560.00 1840.00 1120.00 400. .,
cm
Name : TRIETHYL ACETYL CITRATE
PM Nr : 94240 CAS Nr : 000077-89-4

K B r pellet
497
CAS No. 00077-89-4 PM Ref. No. 94240
TRIETHYL ACETYL CITRATE
Peak wavenumberi %T Relative intensity

414.8 87.4 16.0
428.3 89.8 12.9
488.1 94.7 6.7
603.8 92.6 9.4
655.9 92.7 9.3
783.2 92.1 10.0
860.4 91.3 11.0
1028.2 52.0 60.9
1097.6 77.5 28.6
1142.0 66.4 42.6
1186.4 35.5 81.8
1286.7 53.4 59.0
1346.5 72.2 35.3
1371.6 54.5 57.7
1446.8 80.5 24.7
1743.9 21.1 100.0
2910.9 88.3 14.9
2941.8 82.8 21.8
2984.2 73.2 34.0
498
Triethyl acetylcitrate
43
203
1
213
!
69 85 llj^
39 1-73 I 102
JXÃ ' I '

100 200
29 39.6 157 100.0

43 90.6 158 8.4
115 21.0 203 44.3
130 7.6 213 13.2
139 10.8 273 6.5

Scan Range 25-350
(PMn° ^ f CAS n" ^ Name 1
^ 94240 J [ 00077-89-4 J TRIETHYL ACETHYL CITRATE Solvent CDCL3
) SF 250.13
SI 16384
sw 3125
NS 32
(ppm) 1
VO
VO
500
Triethyleneglycol bis(3-(3-tert-butyl-4-hydroxy-5-methylphenyl) propionate)
CIIj
C H 2 — C H 2 — C — O — C H 2 — C H 2 — O — CH 2 - —
t e r t . Butyl
CAS No. - 36443-68-2

PM Ref. No. - 94400
Formula - C34H 50 O 8
Alternative names - Ethylene bis(oxyethylene)-bis(3-tert-but)

hydroxy-5-methylhydrocinnamate)
Physical Characteristics - Slightly yellow granules, mp 76 - 79°C

- Soluble in acetone, benzene, methanol,
chloroform.

Safety - Harmful.

Applications - PVC, PVDC, PA, styrene co-polymers,
polyesters, poly acetáis.

100 000
80 000
60 000
ii 40 000
20 000 _
0 000
4000 00 3280.00 2560 00 1840 00 1120.00 400.0
cm
Name:TRIETHYLENEGLYCOLBIS-3-(3-Tert-BUTYL-4-HYDROXY-5-METHYLPHENYL)PROPIONATE
PM Nr : 94400 CAS Nr : 36443-68-2

KBr pellet
Ut
O
502
CAS No. 36443-68-2 PM Ref. No. 94400
TRIETHYLENEGLYCOLBIS-3-(3-tert-BUTYL-4-HYDROXY-
5-METHYLPHENYL)PROPIONATE
Peak wavenumber 1 %Τ Relative intensity
414.8 82.4 18.1
455.3 49.3 52,0
495,8 76,2 24.4
524.7 59.8 ■'.1.2
553.6 75.7 2-1,9
586,4 81.4 19,1
599.9 72.8 27,9
648.2 71.9 23,8
673,2 83.2 17,2
756.2 33,9 67.6
794.8 69,3 31,5
821,8 74,6 28,1
833,4 59,7 «1.3
856,5 65,4 35,5
870.0 24,2 77.8
900.9 54,3 46,9
943.3 33,1 68,6
968.4 57,4 43.7
989,6 70.0 30,8
1030,1 44,1 57,4
1041,7 52,5 48,7
1057.1 22,7 73,3
1070,6 40,0 61,6
1086.1 43.4 53.1
1107,3 7,2 95.2
1126,6 9.6 S2.8
1143,9 6.7 S5.7
1155,5 4.7 97,8
1196,0 2.5 100.0
1225.0 8,6 93,8
1252.0 31,4 70.4
1275,1 30.8 71.0
1292,5 41,8 59.7
1331,0 40.3 61.3
1344,6 30,2 71,6
1365,8 26,7 75,2
1388,9 29.6 72.2
1419,8 35.4 66.3
1431,4 23.0 79,0
1442,9 20,9 81.2
1458,4 28,4 73.5
1485,4 20,9 81.2
1597.3 78,1 22.5
1682,1 88,3 12.0
1753,5 7,2 95.2
2359,2 85,9 14,5
2660,2 89,4 10.9
2822.2 68.8 32,0
2882,0 30.7 71.1
2912,9 12.9 89.4
2949.5 14,5 87.7
2995,8 32,6 69,2
3375,8 61,0 40,0
3485.8 17.7 84,4
3750.1 83,5 16.9
3800,2 85,8 14.6
3852.3 85.1 15,3
3869,7 87,1 13.2
503
Triethyleneglycol bis(3-(3-tert-butyl-4-hydroxy-5-methylphenyl) propionate)
368
369
281 312 350 53 0
1
200
Τ "
500
41 12.5 178 11.6

43 13.5 190 68.3
45 13.7 207 11.4
57 40.2 217 20.5
87 22.7 262 9.4
161 88.5 263 15.8
162 14.6 368 25.7
163 21.2 530 1.6
175 25.0 586 2.6
177 100.0

Scan Range 40-700
LU
O
4i.
í PM η° ^ Γ CAS η° ^ Name
[ 94400 J [ 36443-68-2 J TRIETHYLENEGLYCOLBIS-3-(3-TERT-BUTYL-4- Solvent CDCL3
HYDROXY-5-METHYLPHENYL)PROPIONATE SF 250.13
SI 16384
sw 3125
NS 76
J
I I I I p - m
ï
Ai
ι ι ι ι ι ι ι ι ι ι ι ι ι ι r j ι
7 6
J
(ppm)
| Ι Ι Ι Ι" Ι Ι Ι
Ι ι ι ι ι ι ι ι ι ι ι ι
XJ
Ι Ι 1 1 1 τ Ι 1 Ι 1 1 Τ 1 1 Τ 1 [ Ι Ι Ι ι
505
1,1,1-Trimethylolpropane
OH
ÇH 2
C2H5—C—CH2—OH
ÇH 2
OH
CAS No. - 00077-99-6

PM Ref. No. - 94960
Formula - C6H1403
Alternative names - 1,1,1 (Trihydroxymethyl)propane

2,2(Dihydroxymethyl) butanol
Physical Characteristics - White flaked solid, mp 59°C, bp 297°C.
- Soluble in water, alcohol, acetone.

Handling
Safety
Availability
Current uses
Applications - Stabilizer.
- PVC, PVDC, PU, Polyesters.
L/1
O
αν
105.000
86.000 _
67.000
™ 48.000 _
29.000 _
10.000
4000.00 3280.00 2560.00
Name : TRIMETHYLOLPROPANE
PM Nr : 94960 CAS Nr : 00077-99-6

K B r pellet
507
CAS No. 00077-99-6 PM Ref. No. 94960
1,1,1 -TRIMETHYLOLPROPANE

409 65,3 42,9
422,5 73,2 33,1
538,2 71,4 35,3
576,8 59,7 49,8
638,5 49,8 62,0
684,8 46,4 66,2
767,8 49,8 62,0
783,2 45,5 67,3
866,1 86,4 16,8
960,7 53,9 56,9
989,6 30,9 85,3
1016,6 19,0 100,0
1064,8 25,4 92,1
1176,7 71,8 34,8
1196,0 67,1 40,6
1292,5 61,1 48,0
1346,5 43,5 69,8
1439,1 58,1 51,7
1460,3 52,0 59,3
1475,7 47,8 64,5
1489,2 49,8 62,0
2675,6 79,7 25,1
2762,4 72,3 34,2
2858,9 46,2 66,4
2883,9 45,3 67,6
2934,1 34,5 80,9
2968,8 40,8 73,1
3119,3 50,7 60,9
3152,1 42,3 71,3
3217,7 29,6 86,9
3233,1 25,8 91,6
3271,7 23,5 94,5
508
1,1,1-Trimethylolpropane
100
80
60
20 - 73
Ι
68
53 75
45
Τ 60 80
50
41 31.3 68 13.4
43 21.6 69 9.6
44 9.8 70 11.8
45 5.3 71 16.6
53 6.6 73 16.4
55 32.6 75 9.9
56 4.6 77 6.8
57 1 00.0 83 4.7
58 9.0 86 62.7
67 8.8 87 5.1

Scan Range 40-500
Γ PM n° \
[ 94960 J
Γ CAS η°
[ 00077-99-6
^
J
Name
1,1,1 -TRIMETH YLOLPROP ANE
] Solvent
SF
SI
CD CI3
250.13
16384
SW 3125
NS 116
Wii JI AJ¿L·
[ τ τ ι 1 r t ι τ 1 1 ι ι ι ι ι ι ι 1 i ' [ 1 ' ' ' ' '' '*' T
1 ' ' ' ' I I I ' "ï t I I ι I I 1 I I I J 1 I f t I ! r~r I I 1 I | I I ι Ιι ιn ιι ιπ ιι ι ι r
a 7 6 5 ι o
(ppm)
Lu
O
VO
510
l,3,5Trimethyl2,4,6tris(3,5ditertbutyl4hydroxybenzyl)benzene
OH
t e r t . ButyL· X. ^tert. Butyl
i"2
tert. Butyl^
/ \
XÙX
CH2 γ^ CH2 -~^ , t e r c . Butyl
HO"' ^γ ΌΗ
ter t . Butyl t e r t . Butyl
CAS No. - 01709-70-2

PM Ref. No. - 95200
Restrictions - None
Formula - C54H7803
Alternative names - Phenol, 4,4',4"-((2,4,6-trimethyl-l,3,5-

benzenetriyl)-tris(methylene)) tris(2,6-bis(l, 1-
dimethylethyl))-

Handling
Availability
Current uses
- General use.
GC Retention time
105.000
89.000
73 000
ra 57.000
41.000
25.000
3280.00 2560 00 1840.00 1120.00 400.0
4000 00
cm
Name : 13,5-TRIMETHYL-2,4,6-TRIS(3,5-DI-tert-BIJTYL-4-HYDROXYBENZYL)BENZENE
PM Nr : 95200 CAS Nr : 01709-70-2
KBr pellet
512
CAS No. 01709-70-2 PM Ref. No. 95200
1,3,5-TRIMETHYL-2,4,6-TRIS(3,5-DI-tert.BUTYL-4-
HYDROXYBENZYL)BENZENE

414,8 85,0 22,1
424,4 87,7 18,1
449,5 93,0 10,3
505,4 94,4 8,2
588,4 92,7 10,8
621,2 93,6 9.4
769,7 79,2 30,6
787,1 84,0 23,6
870,0 77,6 33,0
889,3 88,6 16,8
1024,3 89,5 15,5
1120,8 61,0 57,4
1153,6 57,5 62,6
1209,5 68,7 46,1
1226,9 52,3 70,3
1236,5 56,4 64,2
1317,5 78,1 32,3
1360,0 74,0 38,3
1390,9 76,1 35,2
1435,2 33,0 98,7
2872,4 61,0 57,4
2912,9 54,3 67,3
2957,2 32,1 100,0
3630,5 67,3 48,2
3649,8 59,2 60,1
513
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl) benzene
%age
153 191
91 276 317 318 3?4 « 8 468

¡VUf+iLj, ■ <, ' . · . V .υ. ,r., , . 1 , i 4J
54 25.3 482 5.3

153 6.0 676 13.3
191 5.3 677 8.7
206 20.0 729 100.0
481 12.7 730 73.3
Scan Range 40-1000
LU
PMn°
95200
CASn°
01709-70-2
J
Name
l,3,5-TRIMETHYL-2,4,6-TRIS(3,5-di-tert-BUTYL-4-HYDROXYBENZYL)BENZENE
D
Solvent CDCI3
SF 250.13
SI 16384
SW 3125
NS 42
'I ' ' Τ-ΓΓΓΓΓΤΤΤΤΤ" ■ Τ Τ Γ Γ Γ Γ Γ Γ Γ Γ Γ 1 I I I I I I I I I I t

7 o
(ppm)
515
l,3,5Tris(3,5ditertbutyI4hydroxybenzyl)l,3,5triazine2,4,6(lH,3H,5H)trione
PH
ψ
t e r t . Butyl. J \ ^ t e r t . Butyl
f
II· -Ν.
t e r t . Butyl
/
"ιîf CHî^^^tert.
CO
Butyl
t e r t . Butyl
HO t e r t . Butyl
CAS No. - 27676-62-6

PM Ref. No. - 95360
Alternative names
Physical Characteristics - White powder, mp 219.5 - 225.5°C.
- Soluble in acetone, benzene, chloroform.

Handling
Availability
Current uses
- General use.
GC Retention time
Lu
Os
105 000
84 000
63 000 _
S 42 000
21 000 _
0 000
«000 00 .3280.00 2560.00 1840 00 1120 00 400 0
Name : 1.3.5-TRIS(3,5-DI-Tert-BÜTYL-4-HYDROXYBENZYL)-1,3,5-TRIAZINE-2,4,6( 1 H,3H,5H)-TRIONE
PM Nr : 95360 CAS Nr : 27676-62-6

K B r pellet
517
CAS No. 27676-62-6 PM Ref. No. 95360
1,3,5-TRIS(3,5-DI-tert-BUTYL-4-HYDROXYBENZYL)-1,3,5-
TRIAZINE-2,4,6(1 H,3H,5H)-TRIONE
420,5 73,9 28,2
451,4 57,8 45,5
490,0 57,6 45,7
657,8 88,1 12,8
669,4 75,7 26,2
763,9 49,1 54,9
792,8 75,0 27,0
814,1 86,7 14,4
889,3 57,5 45,9
1122,7 42,8 61,7
1167,1 41,9 62,7
1197,9 60,0 43,2
1213,4 40,9 63,8
1236,5 33,6 71,6
1315,6 25,6 80,3
1360,0 29,7 75,9
1390,9 65,6 37,1
1439,1 10,7 96,4
1452,6 8,2 99,1
1603,0 90,2 10,6
1691,8 7,3 100,0
2876,2 54,6 49,0
2916,7 46,1 58,2
2961,1 22,9 83,2
3377,8 90,0 10,8
3557,2 68,2 34,3
3638,2 38,2 66,7
518
l,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-l,3,5-triazine-2,4,6(lH,3H,5H)trione
IDDI L 1 p«95360 .s.ue

95. .5.SEC
90. 5.2E6
B5. .5.0E6
205
BO. .4.7X8
75. .4.416
70. 4.1C6
65. _3.BE6
60: 3.5C6
55. 3.2E6
50. _2.9E6
15. _2.6E6
40. .2.3«
35. .2.0(6
30. .1.716
25_ .1.5E6
91
20. .1.216
7 4
15.
. J] B.7E5
10: L5.BE5
5. -Ϊ.9Ε5
uil
so toc ]
Η , ,1',,ι \ l,
i o ¿oò ¿so jod 350 ' ' iAó
1,
450
, I
' 500 ' 550 ''¿ÒÓ' 650 iAó 750
\
aio 'aio' 9Ò0
O.OEO
' sao 1000 a/«
41 36.2 161 100.0

43 44.8 162 18.4
55 17.2 175 44.2
57 20.9 190 23.3
91 21.5 203 81.6
105 17.8 205 17.2
119 23.3 219 49.1
133 17.2 220 30.7
145 17.2 784 16.0
147 19.0 785 8.6
Scan Range 40-1000
]
fpMn0 ^ ( CASη° "Ι Name 1
Solvent CDCLj
[ 95360 J [ 27676-62-6 J l,3,5-TRIS(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYL)·
l,3,5-TRIAZrNE-2,4,6(lH,3H,5H)-TRIONE SF 250.13
SI 16384
sw 3125
NS 80
juJWÛ.
ι ι ι ι ι ι ι I I I I I I I I I I I I I I | I I I I I I I ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι ι I I I I | I I I I
8 7 6 5 4 3 2 1 0
(ppm)
Ut
SO
520
CONTENTS IN CAS NUMBER ORDER.
CAS No. PM Ref. Substance Page No.

No.
33800 Alkyl (C10-C13)benzenesulphonic acid, 32

sodium salt
34240 Alkyl (C10-C20)sulphonic acid, 39
esters with phenols
00077-89-4 94240 Triethyl acetylcitrate 495
00077-93-0 44640 Citric acid, triethyl ester 105
00077-99-6 94960 1,1,1 -Trimethylolpropane 505
00078-51-3 73600 Phosphoric acid, tributoxyethyl ester 308
00078-72-2 74000 Phosphoric acid, tris(2-ethylhexyl) ester 328
00080-05-7 40060 Bisphenol A 95
00084-61-7 74960 Phthalic acid, dicyclohexyl ester 361
00084-66-2 75120 Phthalic acid, diethyl ester 366
00084-69-5 75280 Phthalic acid, diisobutyl ester 371
00084-74-2 74880 Phthalic acid, dibutyl ester 356
00085-68-7 74560 Phthalic acid, benzyl butyl ester 346
00088-24-4 66400 2,2' -Methylenebis(4-ethyl-6-tert-butylphenol) 254
00096-69-5 92800 4,4' -Thiobis(6-tert-butyl-3-methylphenol) 475
00099-76-3 60200 4-Hydroxybenzoic acid, methyl ester 220
00100-41-4 53255 Ethylbenzene 170
00102-08-9 51680 N,N'-Diphenylthiourea 148
00102-76-1 57760 Glycerol triacetate 205
00103-23-1 31920 Adipic acid, bis(2-ethylhexyl) ester 22
00103-24-2 36320 Azelaic acid, bis(2-ethylhexyl) ester 44
00105-99-7 32240 Adipic acid, dibutyl ester 27
00106-03-6 36400 Azelaic acid, bis(6-methylheptyl) ester 49
00108-90-7 67280 Monochlorobenzene 269
00109-43-3 85360 Sebacic acid, dibutyl ester 426
00110-30-5 53520 N,N'-Ethylenebisstearamide 175
00112-84-5 52720 Erucamide 160
00112-92-5 68225 1-Octadecanol 274
00115-86-6 73920 Phosphoric acid, triphenyl ester 323
00117-81-7 74640 Phthalic acid, bis(2-ethylhexyl) ester 351
00119-47-1 66480 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 259
00120-40-1 39280 N,N'-Bis(2-hydroxyethyl)lauramide 79
00120-78-5 46400 Dibenzothiazyl disulphide 110
00121-79-9 55360 Gallic acid, propyl ester 190
00122-62-3 85120 Sebacic acid, bis(2-ethylhexyl) ester 421
521
CAS No. PM Ref. Substance Page No.

No.
00123-28-4 93120 Thiodipropionic acid, didodecyl ester 485

00123-95-5 89120 Stearic acid, butyl ester 451
00124-26-5 88960 Stearamide 446
00126-71-6 73840 Phosphoric acid, triisobutyl ester 318
00126-73-8 73680 Phosphoric acid, tributyl ester 313
00128-37-0 46640 2,6-Di-tert-butyl-p-cresol 116
00131-11-3 75600 Phthalic acid, dimethyl ester 391
00131-56-6 48640 2,4-Dihydroxybenzophenone 126
00131-57-7 61360 2-Hydroxy-4-methoxybenzophenone 239
00149-57-5 54120 2-Ethylhexanoic acid 185
00301-02-0 68960 Oleamide 284
00577-11-7 91572 Sulphosuccinic acid, bis(2-ethylhexyl) ester, 465
sodium salt
00611-99-4 48720 4,4'-Dihydroxybenzophenone 131
00948-65-2 72160 2-Phenylindole 298
00991-84-4 40000 2,4-Bis(octylmercapto)-6-(4-hydroxy-3,5-di- 85
tert-butylanilino)-l ,3,5-triazine
01241-94-7 72800 Phosphoric acid, diphenyl 2-ethylhexyl ester 303
01333-21-7 74400 Phosphorous acid, tri(nonyl-and/or 340
dinonylphenyl) ester
01338-39-2 87600 Sorbitan monolaurate 431
01338-41-6 87840 Sorbitan monostearate 441
01338-43-8 87680 Sorbitan monooleate 436
01709-70-2 95200 l,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4- 510
hydroxybenzyl)benzene
01843-05-6 61600 2-Hydroxy-4-n-octyloxybenzophenone 249
02082-79-3 68320 Octadecyl 3-(3,5-di-tert-butyl-4- 279
hydroxyphenyl) propionate
02440-22-4 61440 2-(2-Hydroxy-5-methylphenyl)benzotriazole 244
03896-11-5 60400 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)- 230
04066-02-8 66560 2,2'-Methylenebis(4-methyl-6-cyclohexyl- 264
phenol)
06683-19-8 71680 Pentaerytritol tetrakis(3-(3,5-di-tert-butyl-4- 294
hydroxyphenyl)propionate)
07128-64-5 38560 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene 54
08002-74-2 71281 Hydrocarbon waxes, paraffin and 289
microcrystalline (hydrogenated)
08045-34-9 89520 Stearic acid, esters with pentaerytritol 456
522
CAS No. P M Ref. Substance Page No.

No.
09003-11-6 79930 Polyethylene propylene)glycol 406

09016-00-6 76720 Polydimethylsiloxane 396
15571-58-1 50320 Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) 136
16545-54-3 93360 Thiodipropionic acid, ditetradecyl ester 490
23128-74-7 59120 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4- 210
hydroxyphenyl)propionamide)
23949-66-8 53200 2-Ethoxy-2'-ethyloxanilide 165
25013-16-5 40720 tert-Butyl-4-hydroxyanisole 100
25496-72-4 56960 Glycerol monooleate 195
26401-86-5 67760 Mono-n-octyltin tris(isooctyl mercaptoacetate) 142
26401-97-8 50480 Di-n-octyltin bis(isooctyl mercaptoacetate) 142
26523-78-4 74400 Phosphorous acid, tri(nonyl-and/or 340
dinonylphenyl) ester
26741-53-7 38820 Bis(2,4-di-tert-butylphenyl)pentaerythritol 64
diphosphite
26761-40-0 75360 Phthalic acid, diisodecyl ester 376
27107-89-7 67680 Mono-n-octyltin tris(2-ethylhexyl mercaptoacetate) 136
27176-87-0 52000 Dodecylbenzenesulphonic acid 156
27554-26-3 75520 Phthalic acid, diisooctyl ester 386
27676-62-6 95360 l,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)- 515
l,3,5-triazine-2,4,6(lH,3H,5H)-trione
28533-12-0 75440 Phthalic acid, diisononyl ester 381
31566-31-1 57520 Glycerol monostearate 200
31570-04-4 74240 Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester 333
32509-66-3 53670 Ethyleneglycol bis(3,3-bis(3-tert-butyl-4- 180
hydroxyphenyl)butyrate)
32687-78-8 38800 N,N'-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) 59
propionyl) hydrazide
35074-77-2 59200 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4- 215
hydroxyphenyl)propionate)
36443-68-2 94400 Triethyleneglycol bis(3-(3-tert-butyl-4- 500
hydroxy-5-methylphenyl) propionate)
38613-77-3 92560 Tetrakis(2,4-di-tert-butylphenyl)-4,4'- 470
biphenylylene diphosphonite
41484-35-9 92880 Thiodiethanol bis(3-(3,5-di-tert-butyl-4- 480
hydroxyphenyl) propionate)
58446-52-9 90720 Stearylbenzoylmethane 460
61167-58-6 31520 Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2- 17
hydroxy-5-methylbenzyl)-4-methylphenyl ester
523
CAS No. P M Ref. Substance Page No.

No.
61348-62-9 76720 Polydimethylsiloxane 396

61791-28-4 77760 Polyethyleneglycol ether of tallow fatty alcohol 401
63231-60-7 71281 Hydrocarbon waxes, paraffin and 289
microcrystalline (hydrogenated)
65140-91-2 46880 3,5-Di-tert-butyl-4-hydroxybenzylphosphonicacid, 121
monoethy 1 ester, calcium salt
65447-77-0 60800 1 -(2- Hy droxyethy 1-4-hy droxy-2,2,6,6-tetramethy 1 23 5
piperidine-succinic acid, dimethyl ester, copolymer
68037-12-7 80550 Poly olefins 411
70198-29-7 60800 1 -(2-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethyl 235
piperidine-succinic acid, dimethyl ester, copolymer
70321-86-7 60320 2-(2-Hydroxy-3,5-bis(l,l-dimethylbenzyl)phenyl) 225
benzotriazole
71786-60-2 39090 N,N-Bis(2-hydroxyethyl)alkyl(C8-C 18)amine 74
71878-19-8 81200 Poly[6-[(l,l,3,3-tetramethylbutyl)amino]-l,3,5- 416
triazine-2,4-diyl]-[(2,2,6,6-tertramethy 1-4-
piperidyl)imino]hexamethylene[(2,2,6,6-
tertramethyl-4-piperidyl)imino]
79072-96-1 38950 Bis(4-ethylbenzylidene) sorbitol 69
85566-24-1 31304 Acids, fatty (C14-C18), alkyl (C14-C18) ester 9
110553-27-0 40020 2,4-Bis(octylthiomethyl)-6-methylphenol 90
524
POLYMER ABBREVIATIONS
-CA Cellulose acetate
-EVA Ethylene vinyl acetate
-PA Polyamide
-PBT Polybutadiene terephthalate
-PC Polycarbonate
- PE Polyethylene
-PET Polyethylene terephthalate
- PMMA Polymethylmethacrylate
-PP Polypropylene
- PS Polystyrene
-PSO Polysulfone
- PTFE Polytetrafluoroethylene
-PU Polyurethane
- PVA Polyvinyl alcohol
-PVC Polyvinyl chloride
- PVDC Polyvinylidene chloride

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Spectra For The Identification of Additives in Food Packaging PDF

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t r

Spectra for the Identification of

Ben van Lierop

KLUWER ACADEMIC PUBLISHERS

Published for the

Coverdesign by Merel van Lierop

Published by Kluwer Academic Publishers,

Sold and distributed in the U.S.A. and Canada

In all other countries, sold and distributed

Printed on acid-free paper

All Rights Reserved

Printed in the Netherlands

Substance CAS No. PM Page No.

Acids, fatty (C14-C18), alkyl (C14-C18) ester 85566-24-1 31304 9

Substance C A S No. P M Pag(:No.

Ethyleneglycol bis(3,3-bis(3-tert-butyl- 32509-66-3 53670 180

Substance C A S No. PM Page No.

Phosphoric acid, triisobutyl ester 00126-71-6 73840 318

Substance CAS No. PM Page No.

4,4'-Thiobis(6-tert-butyl-3-methylphenol) 00096-69-5 92800 475

Contents in CAS number order 520

The Commission of the European Communities provides in Synoptic Document N. 7 [4]

This Handbook will be of practical assistance to enforcement laboratories in the

Plastics Reference Collection of Additives

EC Directive 90/128/EEC controls the safety of plastics food packaging materials by

Physical characteristics such as solubility in common organic solvents are described

Infra red spectra

For particle - beam MS analysis, a VG Autospec magnetic sector mass spectrometer

CAS No. - 85566-24-1

Physical Characteristics - White flake

Handling - Store at room temperature.

Current uses - Lubricant.

GC Retention time - 53.3, 55.9, 58.2, 60.6 min.

4000.00 3280.00 2560.00

Name : ACIDS, FATTY (C14-C18), ALKYL (C14-C18) ESTERS

PM Nr : 31304 CAS Nr : 85566-24-1

CAS No. 85566-24-1 PM Ref. No. 31304

ACIDS, FATTY (C 14-C ie), ALKYL (C 14-C 18) ESTERS

Peak wavenumber %T Relative intensity

Acids, fatty (C,4-C18), alkyl (C,4-C18) ester

M/Z I on I ntensity (%) M/Z Ion I ntensity (%)

Spectrometer Finnigan Mat SSQ 700

Acids, fatty (C14-C18), alkyl (C14-C,8) ester

M/Z Ion Intensity (%) M/2 Ion Intensity (%)

Spectrometer Finnigan Mat SSQ 700

Acids, fatty (C14-Clg), alkyl (C14-C18) ester

M/Z Ion Intensity (%) M/Z Ion Intensity (%)

Spectrometer Finnigan Mat SSQ 700

Acids, fatty (C 14 -C 18 ), alkyl (C 14 -C 18 ) ester

M/Z I on I ntensity (%) M/Z Ion I ntensity (%)

Spectrometer Finnigan Mat SSQ 700

Acrylic acid, 2-tert-butyI-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-

CAS No. -61167-58-6

Alternative names - 2-(l,l-Dimethylethyl)-6-[[3-(l,l-di-methylethyl)-

Physical Characteristics - White granules, mp 131.9°C.

Handling - Store at room temperature.

Current uses - Antioxidant.

GC Retention time - 47.1 min.

4000,00 3280.00 2560.00

CAS No. 61167-58-6 PM Ref. No. 31520

Peak wavenumber %T Relative intensity

Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-

M/Z Ion Intensity (%) M/Z Ion Intensity (%)

Adipic acid, bis(2ethylhexyl) ester

1ÔÓI 94 n »JO.UU —Êm— H 4.JE6