Zenkevich

Retention Indices for Frequently Reported
Compounds of Plant Essential Oils

V. I. Babushok,a) P. J. Linstrom, and I. G. Zenkevichb)
National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA
(Received 1 August 2011; accepted 27 September 2011; published online 29 November 2011)
Gas chromatographic retention indices were evaluated for 505 frequently reported plant
essential oil components using a large retention index database. Retention data are presented
for three types of commonly used stationary phases: dimethyl silicone (nonpolar), dimethyl silicone with 5% phenyl groups (slightly polar), and polyethylene glycol (polar) stationary phases.
The evaluations are based on the treatment of multiple measurements with the number of data
records ranging from about 5 to 800 per compound. Data analysis was limited to temperature
programmed conditions. The data reported include the average and median values of retention
C 2011 by the U.S. Secretary of
index with standard deviations and confidence intervals. V
Commerce on behalf of the United States. All rights reserved. [doi:10.1063/1.3653552]
Key words: essential oils; gas chromatography; Kovats indices; linear indices; retention indices; identification;
flavor; olfaction.
1. Introduction
CONTENTS
1.
Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
2.
Retention Indices . . . . . . . . . . . . . . . . . . . . . . . . . . .
3.
Retention Data Presentation and Discussion . . . .
4.
Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
45
5.
Acknowledgments . . . . . . . . . . . . . . . . . . . . . . . . . .
45
6.
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
45
List of Tables
1.
2.
3.
4.
5.
6.
7.
Cross-reference list of essential oil components

(common names, other chemical identifiers and
average retention index values). . . . . . . . . . . . . . .
Related enantiomers and racemic mixtures.. . . . .
Retention indices of essential oil components
for dimethylsilicone stationary phase . . . . . . . . . .
for dimethylsilicone stationary phase with 5%
phenyl groups. . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
for polar phase . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Averaged standard deviation and confidence
range size for commonly reported constituents
of essential oils. . . . . . . . . . . . . . . . . . . . . . . . . . . . .
The structural assignment of four isomers of
farnesol using retention data . . . . . . . . . . . . . . . . .
a)
4
16
17
26
35
45
45
Electronic mail: vbabushok@nist.gov.

On leave from the Chemical Research Institute, St. Petersburg State University, St. Petersburg, Russia.
C 2011 by the U.S. Secretary of Commerce on behalf of the United States.
V
All rights reserved.
b)
0047-2689/2011/40(4)/043101/47/$47.00
The practical applications of plant essential oils are very

diverse. They are used for the production of food, drugs, perfumes, aromatherapy, and many other applications.14 The
need for identification of essential oil components ranges
from product quality control to basic research. The identification of unknown compounds remains a complex problem,
in spite of great progress made in analytical techniques over
the last several decades.3,5,6 Gas chromatography (GC) and
gas chromatography-mass spectrometry (GC/MS) techniques
are commonly employed for the identification of essential oil
components.1,3,7,8 Measurement of retention indices (RI) of
chemical compounds and comparison with available retention data collections is the usual approach in the confirmation
of compound identification. Retention data are more useful
in combination with mass spectrometry, because the combination can provide a nearly unambiguous identification of
isomers, which is difficult using mass spectra alone. Thus
differences in the structures of branched alkyl substituents
and cis/trans isomers, which normally do not result in significant mass spectral differences, can be identified with the use
of retention data.
Gas chromatographic retention data are very attractive for
applications due to the simplicity of the measurements,
application, and interpretation. To some extent retention data
are available at no additional cost or effort as a by-product of
the use of chromatographic separation for mass spectrometry
measurements. It is known that a large number of components of plant essential oils are common to many species.
Adams7 indicated that the ability to identify 500 compounds
would enable one to identify more than 90% of the constituents of an essential oil of most species. Thus a relatively
small and reliable RI data collection can substantially
increase the identification effectiveness in the analysis of
essential oil constituents.
043101-1
J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011
Downloaded 29 Sep 2013 to 142.51.1.212. This article is copyrighted as indicated in the abstract. Reuse of AIP content is subject to the terms at: http://jpcrd.aip.org/about/rights_and_permissions
043101-2
BABUSHOK, LINSTROM, AND ZENKEVICH
The purpose of this communication is to evaluate retention

indices for the most frequently reported components of essential
oils using the retention data from the NIST data-collection.913
A large body of gas chromatographic retention data exists for
the compounds of essential oils, thus reliable values of RI data
can be provided. The goal was to evaluate retention data for
about 500 commonly identified components of essential oils.
We undertake the analysis of data distributions of multiple (replicate) measurements to provide statistically justified RI values.
Retention indices also find applications in the characterization of selectivity of stationary phases, in structural analysis,
and in studies of physico-chemical properties of analytes and
stationary phases.5,14 Relationships between Kovats indices
and thermodynamic properties are used for determination of
vapor pressures, enthalpies, and entropies of adsorption and
vaporization of different analytes.1528 Zabiegala et al.29
employed retention indices for the estimation of the calibration constants of permeation passive samplers with polydimethylsiloxane membranes. RI is also used as an aid in the
development of new medical and perfume formulations.8,30
The current status of retention data collections and of the
development of computerized databases has been summarized by Babushok et al.9 The collection and processing of
gas chromatographic properties of chemical compounds
began at NIST in the late 1990s with the aim of developing a
comprehensive and evaluated database of retention indices.9,13 Currently the collection contains 346 757 data
records for 70 839 compounds measured on nonpolar and polar stationary phases (a data record corresponds to a single
RI measurement for chemical compound). Data were
extracted from original papers, technical reports, conference
proceedings, and Internet sources (19582011). The collection contains over 10 000 sources of gas chromatographic
properties. The third release of the RI database is available
as a part of NIST/EPA/NIH Mass Spectral database (June,
2011),11 as well as on the Internet (NIST Chemistry WebBook).12 The database allows one to study and evaluate
retention index variability for different chemical compounds.
This variability results from the differences in the column
properties (brand, column size, etc.), differences in the conditions of measurements, and experimental errors.
2. Retention Indices
The retention index system suggested first by Kovats,31
and its modification to temperature programming conditions,5,32 allows the results measured in one laboratory to be
used in other laboratories. The retention index combines two
fundamental gas chromatographic properties: the relative
retention and the specific retention volume.33 Figuratively
speaking, Kovats31 suggested a chemical ruler to characterize different chemical compounds on a specific time scale
for identification purposes. According to Kovats, an analytes index is its relative time position between the nearest
n-alkanes which elute immediately before and after a target
analyte. Isothermal Kovats retention indices are determined
by the relationship,31
Ix 100n 100logt0x logt0n =logt0n1 logt0n ; (1)

where t0n and t0n1 are adjusted retention times of the reference n-alkane hydrocarbons eluting immediately before and
after compound X, and tx is the adjusted retention time of
compound X. Linear indices (nonisothermal indices in
accord with the definition of Van den Dool and Kratz32 from
temperature-programming measurements) are defined by the
following:
Ix 100n 100tx tn =tn1 tn ;
(2)
where tn, tn1, and tx are net retention times.

A large volume of retention data is available for essential
oil compounds. Thus 1967 data records for limonene can be
found in the last release of the NIST database. The observed
RI data distributions are the result of several factors including small variations in stationary phase polarity, temperature
conditions, and ratios between amounts of characterized analytes and reference compounds.34 The observed data spread
is also the result of errors in measurements and compound
misidentification.35 Discussion of retention data distributions
can be found in Refs. 9, 10, 35, and 36.
3. Retention Data Presentation and

Discussion
A list of the most frequently reported compounds was generated based on the number of data records available for different compounds in the NIST database.9,11,12 At first, the
list of compounds was determined based on the number of
all available data records in the database. This list was
adjusted in accord with the frequency of data reporting in the
journals publishing the results of research related to the
essential oils, such as Journal of Essential Oil Research,
Flavor and Fragrance Journal, Phytochemistry, and
Biochemical Systematics and Ecology. Additionally, we
verified the presence of these compounds in the available
collections of data for essential oil compounds.6,7,3739 As
the result, the list of frequently reported components of
essential oils was determined (Table 1). We limited our analysis to the 505 commonly identified compounds. Only compounds with at least five data-records were included in the
final list.
The following describes our procedure for the treatment of
the retention data for these compounds. The data treatment
was limited to the three commonly used nonpolar and polar
stationary phases: dimethylsilicone stationary phase (OV101, HP-1, DB-1, SE-30, etc.), dimethylsilicone phase with
5% phenyl groups (DB-5, SE-54, HP-5, Ultra-2, etc.), and
polyethylene glycol stationary phase (polar phase, e.g., Carbowax 20M, Innowax, CP-Wax 52 CB). Another constraint
was the use of RI data measured under temperature programmed conditions. In this work, we used an approach35,36
to RI data distribution analysis to extract the values of retention indices, corresponding to the conditions typically used
for gas chromatographic measurements.
RETENTION INDICES
Prior to calculation of the data distribution characteristics,
outlier RI values were deleted based on the data review.
Data points separated by more than 10 iu (index units) from
the main group of data, were not considered. Exceptions
were cases with a small number of data records and compounds with large spans of retention values. For such cases
data records were analyzed and decisions were made taking
into account several factors such as the origin of the data,
data consistency with other measurements, measurement
conditions, procedure of identification, procedure of index
determination, etc. Overall not more than 5% of data points
were deleted as outliers.
The preparation of the NIST retention database (2005,
2008, and 2011 releases) included a data review aimed at
eliminating erroneous data. This data screening was mainly
concentrated on the correct naming, structure presentation,
data entry corrections, verification of experimental conditions, and consistency with retention data for other compounds including the elution order.9,11,12 The data review
additionally included a comparison of database RI values
with the predicted retention indices using the procedure suggested by Stein et al.,10 and included the analysis of retention
index distributions for compounds, where large data spans
were found. As a result data found to be in error were
deleted, and suspicious RI values were flagged. Thus, to
some extent, the analyzed retention data were already
selected as reasonably sound experimental RI values.
For each compound, the following values were determined: average and median values of retention indices,
standard deviation, and confidence intervals (50% and 90%
of RI data ranges). If the dataset of available measurements
was less than 20 data-records, a range of retention indices
was provided instead. Of course, the distributions of analyzed RI data do not represent strictly random data. The
observed deviations from the average value are a combination of random and systematic errors, where the systematic
deviations represent significant contributions. Where there
was a problem with treatment of retention data (e.g., for distributions with two groups of data or with a large span of
retention values), the range of available RI measurements
was provided. In this work, all considered RI data-records
were treated as equivalent data.
Tables 24 contain the results of the determination of RI
values for the most frequently reported components of essential oils. The following data are presented for each compound (Tables 15):
name of the compound,

CAS registry number,
molecular formula,
number of replicate measurements for compound,
median value,
average value,
standard deviation,
confidence intervals (50% and 90% range of RI data
values),
comment.
043101-3
Data are ordered in accord with the RI value (average

value). Additionally, the cross-reference Table 1 contains
the data ordered alphabetically by compound name.
For compound naming, we employed mainly the commonly
used names of constituents of essential oils. Most of these
names correspond those used in publications.7,37,38,66 Additional descriptors (prefixes), such as cis-, trans-, exo-, endo-,
epi, etc., are placed after the key chemical name. Table 1
contains also systematic names of components along with
the CAS registry numbers and molecular formula. Other
names (systematic names, synonyms, trade names), structures, and the original RI data with references can be found
in the NIST/EPA/NIH MS database11 and the NIST Chemistry WebBook.12
There were a number of cases with different assignments
of CAS registry numbers supposedly to the same compound.
These differences mostly have two causes (not considering
erroneously assigned CAS registry numbers). One common
cause is the use of different conventions for compound naming. Thus, RI data for the same isomer of sabinene hydrate
can be found labeled as cis- or trans-depending on the convention used. This naturally leads to some confusion in the
data treatment. Second is the use of registry numbers corresponding to different enantiomers, or to the racemic mixture,
or the use of the CAS number for an unknown isomer. Thus
the same compound can sometimes be found under different
CAS registry numbers. The retention characteristics of enantiomers are practically indistinguishable on the stationary
phases considered in this article, and sometimes authors
were not able to provide accurate identification using only
GC-MS measurements (separation of enantiomers requires
application of specially designed chiral stationary phases).
For compounds where different registry numbers can be
found in literature, we provided several registry numbers
with the corresponding names (Table 2).
An important gas-chromatographic characteristic of organic
compounds is their elution order. It is a highly reproducible
characteristic, and it is often used for the identification of isomers in mixtures. It is commonly regarded that for a given
type of stationary phase, the elution order of compounds is a
more accurate piece of retention data than the retention indices. For most of the compounds considered, the evaluated RI
values are consistent with data7 on the elution order (dimethylsilicone with 5% phenyl groups). The observed inconsistencies (in comparison with the data of Adams7) are within
the calculated error ranges. We did not analyze the available
data for the elution order of essential oil components. We
believe that much more work is required for the proper evaluation of elution order data. It is also of interest to consider
optimization of retention index values through the analysis of
available elution order data.
A large number of retention data sources were involved in
the data evaluation (more than 3000). The work is based on
the analysis of a very large set of data. We do not feel that
this article is the place to provide all of the references for the
retention data analyzed. The references of data sources are
provided as the electronic supplementary material.98 These
043101-4
can also be found in NIST/EPA/NIH-MS-database11 and the

NIST Chemistry WebBook.12
Table 6 gives the average standard deviations and averaged
confidence intervals for the components of essential oils listed
in Tables 35 for three stationary phases. The averaged standard
deviations are in the following order in accord with the phase
used: polyethylene glycol > dimethylsilicone > dimethylsilicone
with 5% phenyl groups. It is of interest that the obtained average confidence intervals are relatively narrow. Thus, approximately 50% of RI measurements could be found in the 6.7 iu
range for typical constituents of essential oils, and 90% of
measurements belong to 25.5 iu range for identifications
made on dimethylsilicone phase with 5% phenyl groups. The
calculated average standard deviations and confidence intervals can be considered as reasonable estimates for characterization of the RI variability of the common constituents of
essential oils. These estimates can be used in automated identification procedures as constraints for removing falsepositive identifications (RI search windows).
A great advantage of chromatographic techniques is the
ability to distinguish different diastereomers. The diastereomers are characterized by practically identical mass spectra, and the use of GC retention parameters is often the only
practical method for the correct identification of such isomers. Unfortunately there are currently no theoretical methods for prediction of retention behavior of such
diastereomers. The difficulties of identification can be seen
for four (Z,E)-isomers of farnesol (3,7,11-trimethyldodeca2,6,10-trien-1-ol). Table 7 contains a comparison of estimated retention data using the NIST database with the data
listed in the two editions of Adams book7,53 for the same
isomers on nonpolar and slightly polar phases. As can be
seen, the relative elution order of isomers obtained corre-
sponds well to the elution order provided in the 2003 edition.53 However, the 2007 edition7 contains retention data
significantly different from these estimates. Thus, the identification of farnesol isomers can formally be uncertain. In any
case, authors should indicate the source of chromatographic
information used for isomer assignments. Additionally, Table 7 includes the results of identification of farnesol isomers
(elution order) made with the use of other analytical techniques and comparisons with authentic samples.9297 Based on
these data, we re-considered the results of our estimates and
re-assigned the obtained retention indices in accord with the
elution order of isomers observed in Refs. 9297 (Table 4),
which is consistent with data.7
Literature data show that RI values for low-polarity polar
stationary phases (like dimethylsilicone phase with 5% phenyl groups) are usually slightly higher than the RI values for
nonpolar phases (dimethylsilicone). The differences are
within 5 iu to 30 iu depending on the polarity of analytes.
However, it was observed that for several compounds the
retention indices were approximately the same for both
phases and sometimes larger RI values were observed for the
dimethylsilicone phase. These compounds are marked in
Table 1. In general, the differences in RI values do not
exceed the sum of their standard deviations for these stationary phases. These anomalies are possibly the result of measurement inaccuracies. Another cause of such behavior
might be the influence of the polarity of analytes with the
active hydrogen atoms in hydroxyl groups. Slight asymmetry
of GC peaks on nonpolar phases with the shift of the maximums of the chromatographic peaks is observed for such
compounds. The use of slightly polar stationary phases
decreases the asymmetry of the peaks of polar compounds
and their tailing.
TABLE 1. Cross-reference list of essential oil components (common names, other chemical identifiers and average retention index values)a,b
Name
Abietadiene
Abietatriene
Acetic acid
Acetoin
Acetophenone
2-Acetylfuran
b-Acoradiene
a-Acorenol
Alloaromadendrene
allo-Ocimene
a-Amorphene
Anethole, (E)p-Anisaldehyde
p-Anisyl alcohol
Systematic name
Phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro1,1,4a-trimethyl-7-(1-methylethyl)-, [4aS(4aa,4bb,10ab)]Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4atrimethyl-7-(1-methylethyl)-, (4aS-trans)2-Butanone, 3-hydroxy1-Phenylethanone
Spiro[4.5]dec-7-ene, 1,8-dimethyl-4-(1-methylethenyl)-,
[1R-(1a,4b,5a)]Spiro[4.5]dec-7-ene-1-methanol, a,a,4,8-tetramethyl-,
[1R-(1a,4b,5a)]1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4methylene-, [1aR-(1aa,4ab,7a,7ab,7ba)]2,4,6-Octatriene, 2,6-dimethyl-, (E,Z)1b,7bH-Cadina-4,9-diene
Benzene, 1-methoxy-4-(1-propenyl)-, (E)Benzaldehyde, 4-methoxyBenzyl alcohol, p-methoxy-
CAS
Formula
RI(DIMS) RI(DIMS5P) RI(PEG)
35241-40-8
C20H32
2061.8
2080.5
[2450]
19407-28-4
C20H30
2032.8
2054.3
2506.1
64-19-7
513-86-0
98-86-2
1192-62-7
28477-64-7
C2H4O2
C4H8O2
C8H8O
C6H6O2
C15H24
633.0
684.3
1041.5
883.8
1461.8
622.3
713.7
1067.4
912.4
1465.5
1446.1
1282.2
1647.6
1498.8
1687.7
28296-85-7
C15H26O
1620.3
1630.0
[2163]
25246-27-9
C15H24
1459.1
1459.9
1649.2
7216-56-0
20085-19-2
4180-23-8
123-11-5
105-13-5
C10H16
C15H24
C10H12O
C8H8O2
C8H10O2
1116.4
1466.2
1264.7
1222.7
1249.7
1129.9
1482.4
1285.2
1251.8
1282.3
1366.5
1693.1
1826.1
2010.7
[2268]
RETENTION INDICES
043101-5
TABLE 1. Cross-reference list of essential oil components (common names, other chemical identifiers and average retention index values)a,bContinued
Name
Ar-Curcumene
Aromadendrene
Artemisia alcohol
Artemisia ketone
Benzaldehyde
Benzeneacetaldehyde
Benzyl acetate
Benzyl alcohol
Benzyl benzoate
Benzyl salicylate
a-Bergamotene, cisa-Bergamotene, transBicycloelemene
Bicyclogermacrene
b-Bisabolene
a-Bisabolene, (E)c-Bisabolene, (E)a-Bisabolene, (Z)c-Bisabolene, (Z)a-Bisabololc
b-Bisabolol
a-Bisabolol, epi-c
Borneolc
Bornyl acetate
Bornyl formate
b-Bourbonene
a-Bulnesene
Bulnesol
Butan-1-ol, 2-methylButanal, 2-methyl2,3-Butanedione
Butanoic acid
Butanoic acid, 2-methyl1-Butanol
2-Buten-1-ol, 3-methylCadalene
Cadina-1(2),4-diene, cis
a-Cadinenec
c-Cadinene
Systematic name
CAS
Formula
Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4methylene-, [1aR-(1aa,4aa,7a,7ab,7ba)]1,5-Heptadien-4-ol, 3,3,6-trimethyl1,5-Heptadien-4-one, 3,3,6-trimethylPhenylformaldehyde

Phenylacetaldehyde
Acetic acid, benzyl ester
Phenylmethanol
Benzoic acid, phenylmethyl ester
Benzoic acid, 2-hydroxy-, phenylmethyl ester
Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3pentenyl)-, (1a,5a,6b)Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3pentenyl)-, [1S-(1a,5a,6a)]Bicyclo[4.1.0]heptane, 3-ethenyl-3,7,7-trimethyl-2-(1methylethenyl)-, [1R-(1a,2a,3b,6a)]Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-,
(E,E)-(1S,10R)-()1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1yl)-, (S)-(-)2,5-Heptadiene, 2-methyl-6-(4-methyl-3-cyclohexen-1yl)-, (E)Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1methyl-, (E)2,5-Heptadiene, 2-methyl-6-(4-methyl-3-cyclohexen-1yl)-, (Z)Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1methyl-, (Z)3-Cyclohexene-1-methanol, a,4-dimethyl-a-(4-methyl3-pentenyl)-, (aR,1R)-rel3-Cyclohexen-1-ol, 1-[(1S)-1,5-dimethyl-4-hexenyl]-4methyl-, (1S)3-Cyclohexene-1-methanol, a,4-dimethyl-a-(4-methyl3-pentenyl)-, (aR,1R)Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, endoBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate,
endoBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate,
endoCyclobuta[1,2:3,4]dicyclopentene, decahydro-3amethyl-6-methylene-1-(1-methylethyl)-, [1S(1a,3aa,3bb,6ab,6ba)]Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1methylethenyl)-, [1S-(1a,7a,8ab)]5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-a,a,3,8tetramethyl-, [3S-(3a,3ab,5a)]-
644-30-4
489-39-4
C15H22
C15H24
1471.4
1439.0
1482.2
1440.6
1773.5
1620.2
27644-04-8
546-49-6
100-52-7
122-78-1
140-11-4
100-51-6
120-51-4
118-58-1
18252-46-5
C10H18O
C10H16O
C7H6O
C8H8O
C9H10O2
C7H8O
C14H12O2
C14H12O3
C15H24
1071.5
1048.3
936.6
1016.1
1141.1
1015.4
1733.5
1837.2
1410.3
1083.1
1062.0
962.7
1045.9
1165.6
1036.9
1761.3
1867.4
1414.5
[1510]
1344.7
1518.7
1640.7
1723.1
1865.3
2612.7
2787.5
1559.1
13474-59-4
C15H24
1431.1
1434.5
1575.7
32531-56-9
C15H24
1336.2
1333.3
1487.5
24703-35-3
C15H24
1489.8
1494.1
1734.5
495-61-4
C15H24
1499.9
1508.4
1727.5
25532-79-0
C15H24
1533.6
1540.3
1775.2
53585-13-0
C15H24
1525.6
1532.9
1744.7
29837-07-8
C15H24
1496.2
1503.1
1740.4
13062-00-5
C15H24
1511.7
1511.6
1750.5
515-69-5
C15H26O
1668.4
1682.8
2213.6
15352-77-9
C15H26O
1658.6
1672.0
2143.1
23178-88-3
C15H26O
1674.3
1685.3
2214.3
507-70-0
76-49-3
C10H18O
C12H20O2
1153.2
1270.2
1166.2
1283.5
1699.6
1579.3
7492-41-3
C11H18O2
[1208]
1222.6
1595.1
5208-59-3
C15H24
1381.7
1384.2
1523.2
3691-11-0
C15H24
1500.6
1504.1
[1629]
22451-73-6
C15H26O
1653.3
1665.7
2205.3
137-32-6
96-17-3
431-03-8
107-92-6
116-53-0
71-36-3
556-82-1
483-78-3
29837-12-5
C5H12O
C5H10O
C4H6O2
C4H8O2
C5H10O2
C4H10O
C5H10O
C15H18
C15H24
721.9
642.8
565.6
806.8
828.2
651.6
750.6
1654.9
1523.9
740.8
660.2
596.6
808.3
861.9
660.2
774.6
1671.3
1531.0
1205.8
915.5
977.6
1623.7
1664.5
1139.6
1316.1
[2233]
1788.0
82468-90-4
C15H24
1526.6
1533.3
1769.1
39029-41-9
C15H24
1505.7
1513.1
1763.3
Naphthalene, 4-isopropyl-1,6-dimethylNaphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4(1-methylethyl)-, [1S-(1a,4a,4aa)]Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1(1-methylethyl)-, (1a,4ab,8aa)Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-
043101-6
Name
Systematic name
methylene-1-(1-methylethyl)-, (1a,4ab,8aa)Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1(1-methylethyl)-, (1S-cis)a-Cadinol

1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6dimethyl-4-(1-methylethyl)-, [1R-(1a,4b,4ab,8aa)]a-Cadinol, epi1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6dimethyl-4-(1-methylethyl)-, [1S-(1a,4a,4aa,8ab)]a-Calacorene
Naphthalene, 1,2-dihydro-4,7-dimethyl-1-(1methylethyl)-, (S)b-Calacorene
Naphthalene, 1,2,3,4-tetrahydro-6-methyl-1-methylene4-(1-methylethyl)Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1Calamenene, cis-c
methylethyl)-, cisCalamenene, transNaphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1methylethyl)-, trans2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane
Camphenec
Camphene hydrate
Bicyclo[2.2.1]heptan-2-ol, 2,3,3-trimethyla-Campholenal
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (R)Camphorc
1,7,7-Trimethylbicyclo[2.2.1]-2-heptanone
3-Carene
Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyld-2-Carene
Bicyclo[4.1.0]hept-2-ene, 3,7,7-trimethylCarotol
3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8adimethyl-3-(1-methylethyl)-, [3R-(3a,3aa,8aa)]Carvacrol
2-Methyl-5-(1-methylethyl)phenol
Carvacrol acetate
Phenol, 2-methyl-5-(1-methylethyl)-, acetate
Carvacrol, methyl ether
Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)Carveol, cis2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, cisCarveol, trans2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-,
trans2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one
Carvonec
Carvotanacetone
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)Carvyl acetate, cis2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-,
acetate, cisCarvyl acetate, trans2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-,
acetate, transCaryophylla-4(12),8(13)-dien-5a-ol Bicyclo[7.2.0]undecan-5-ol, 10,10-dimethyl-2,6dimethylene-, (1S,5R,9R)-()Caryophyllene oxide
5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl9-methylene-, (1R,4R,6R,10S)Caryophyllene, (E)Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8methylene-, (E)-(1R,9S)-(-)Caryophyllene, (Z)Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8methylene-, (Z)-(1R,9S)-(-)Caryophyllenol II
Bicyclo[7.2.0]undec-3-en-5-ol, 4,11,11-trimethyl-8methylene-, (1R,3E,5R,9S)Caryophyllenyl alcohol
a-Cedrene
1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro3,6,8,8-tetramethyl-, [3R-(3a,3ab,7b,8aa)]b-Cedrene
1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6methylene-, [3R-(3a,3ab,7b,8aa)]Cedrol
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8tetramethyl-, [3R-(3a,3ab,6a,7b,8aa)]Chamazulene
1,4-Dimethyl-7-ethylazulene
b-Chamigrene
(-)-3,7,7-Trimethyl-11-methylenespiro[5.5]undec-2-ene
Chavicol
Phenol, 4-(2-propenyl)Chrysanthenol, cisBicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-,
(1a,5a,6a)Chrysanthenone
Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethylChrysanthenyl acetate, cisBicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate,
(1a,5a,6a)d-Cadinene
CAS
Formula
483-76-1
C15H24
1513.9
1523.2
1755.7
481-34-5
C15H26O
1640.2
1651.9
2227.3
5937-11-1
C15H26O
1626.4
1637.8
2169.7
21391-99-1
C15H20
1530.4
1540.3
1921.4
50277-34-4
C15H20
1547.1
1559.4
1940.3
72937-55-4
C15H22
1509.6
1522.9
1834.5
73209-42-4
C15H22
1512.8
1528.3
1823.0
79-92-5
465-31-6
4501-58-0
76-22-2
13466-78-9
554-61-0
465-28-1
C10H16
C10H18O
C10H16O
C10H16O
C10H16
C10H16
C15H26O
947.4
1135.8
1106.8
1125.0
1007.2
997.7
1592.8
950.3
1148.7
1124.1
1143.4
1011.3
1003.3
1595.3
1068.5
[1602]
1496.0
1515.1
1146.8
1133.9
2027.6
499-75-2
6380-28-5
6379-73-3
1197-06-4
1197-07-5
C10H14O
C12H16O2
C11H16O
C10H16O
C10H16O
1282.7
1354.4
1221.5
1206.4
1200.9
1300.4
1373.1
1243.0
1226.7
1217.1
2210.8
1880.1
1598.9
1854.4
1836.3
99-49-0
499-71-8
1205-42-1
C10H14O
C10H16O
C12H18O2
1218.0
1221.0
1334.4
1242.0
1245.3
1362.0
1733.6
1687.7
[1775]
1134-95-8
C12H18O2
1321.9
1336.6
[1727]
19431-79-9
C15H24O
1623.9
1640.3
2301.0
1139-30-6
C15H24O
1570.0
1580.6
1986.2
87-44-5
C15H24
1419.3
1420.1
1598.5
118-65-0
C15H24
1407.7
1406.5
1588.2
32214-89-4
C15H24O
[1655]
1659.7
[2392]
469-61-4
C15H26O
C15H24
1560.0
1410.9
1568.6
1412.2
[2044]
1582.9
546-28-1
C15H24
1417.7
1422.4
1611.1
77-53-2
C15H26O
1597.1
1600.1
2119.6
529-05-5
18431-82-8
501-92-8
55722-60-6
C14H16
C15H24
C9H10O
C10H16O
1710.0
1470.1
1236.9
1150.3
1726.7
1478.9
1253.9
1162.9
[2430]
1723.9
2337.0
1762.0
473-06-3
67999-48-8
C10H14O
C12H18O2
1104.3
1248.4
1124.5
1261.8
1507.6
1561.1
RETENTION INDICES
043101-7
Name
1,4-Cineole
1,8-Cineole
Cinnamaldehyde, cisCinnamaldehyde, transCitronellal
Citronellol
Citronellyl acetate
Citronellyl butanoate
Citronellyl formate
b-Copaen-4a-ol
a-Copaene
b-Copaene
p-Cresol
p-Cresol, 2-methoxyCryptone
a-Cubebene
b-Cubebene
Cubebol
Cubebol, epi-
Cubenol
Cubenol, 1,10-di-epi1-Cubenol, epiCumin aldehyde
Cuparenec
b-Curcumene
c-Curcumene
b-Cyclocitral
Cyclosativene
p-Cymen-7-ol
p-Cymen-8-ol
m-Cymene
o-Cymene
p-Cymene
p-Cymenene
Cyperene
b-Damascenone, (E)Daucene
2,4-Decadienal, (2E,4E)2,4-Decadienal, (2E,4Z)-
Systematic name
CAS
Formula
7-Oxabicyclo[2.2.1]heptane, 1-isopropyl-4-methyl470-67-7
C10H18O
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl470-82-6
C10H18O
2-Propenal, 3-phenyl-, (Z)57194-69-1
C9H8O
2-Propenal, 3-phenyl-, (E)14371-10-9
C9H8O
3,7-Dimethyl-6-octenal
106-23-0
C10H18O
3,7-Dimethyl-6-octen-1-ol
106-22-9
C10H20O
3,7-Dimethyl-6-octen-1-yl acetate
150-84-5
C12H22O2
3,7-Dimethyl-6-octenyl butanoate
141-16-2
C14H26O2
3,7-Dimethyl-6-octen-1-ol formate
105-85-1
C11H20O2
Tricyclo[4.4.0.02,7]decan-4-ol, 1-methyl-3-methylene- 124753-76-0 C15H24O
8-(1-methylethyl)-, (1R,2R,4S,6S,7S,8S)-rel(1R,2S,6S,7S,8S)-(-)-8-Isopropyl-1,33856-25-5
C15H24
dimethyltricyclo[4.4.0.02,7]dec-3-ene
Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-818252-44-3
C15H24
(1-methylethyl)-, (1R,2S,6S,7S,8S)-relp-Methylhydroxybenzene
106-44-5
C7H8O
2-Methoxy-4-methylphenol
93-51-6
C8H10O2
2-Cyclohexen-1-one, 4-isopropyl500-02-7
C9H14O
1H-Cyclopenta[1,3]cyclopropa[1,2] benzene,
17699-14-8
C15H24
3aa,3ba,4,5,6,7-hexahydro- 4a-isopropyl-3,7bdimethyl-, (-)13744-15-5
C15H24
1H-Cyclopenta[1,3]cyclopropa[1,2] benzene,
octahydro-7-methyl-3-methylene-4-(1-methylethyl)-,
(3aS,3bR,4S,7R,7aR)1H-Cyclopenta[1,3]cyclopropa[1,2] benzen-3-ol,
23445-02-5 C15H26O
2,3,3aa,3ba,4,5,6,7-octahydro-4a-isopropyl-3b,7bdimethyl-, (-)38230-60-3 C15H26O
1H-Cyclopenta[1,3]cyclopropa[1,2] benzen-3-ol,
octahydro-3,7-dimethyl-4-(1-methylethyl)-,
(3R,3aR,3bR,4S,7R,7aR)4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,721284-22-0 C15H26O
dimethyl-1-(1-methylethyl)-, [1S-(1a,4b,4ab,8aa)]4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,773365-77-2 C15H26 O
dimethyl-1-(1-methylethyl)-, [1S-(1a,4a,4aa,8aa)]4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,719912-67-5 C15H26O
dimethyl-1-(1-methylethyl)-, [1S-(1a,4b,4aa,8aa)]Benzaldehyde, p-isopropyl122-03-2
C10H12O
Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-,
16982-00-6
C15H22
(R)1,4-Cyclohexadiene, 1-(1,5-dimethyl-4-hexenyl)-428976-67-2
C15H24
methyl-, (R)1,3-Cyclohexadiene, 1-(1,5-dimethyl-4-hexenyl)-428976-68-3
C15H24
methyl-, (R)1-Formyl-2,6,6-trimethyl-1-cyclohexene
432-25-7
C10H16O
1,2a,4-Methenoindan, 3ab,4b,5,6,7,7a-hexahydro-5a22469-52-9
C15 H24
isopropyl-1b,7ab-dimethyl4-Isopropylbenzenemethanol
536-60-7
C10H14O
1-Methyl-4-(1-hydroxy-1-methylethyl)benzene
1197-01-9
C10H14O
1-Isopropyl-3-methylbenzene
535-77-3
C10H14
527-84-4
C10H14
99-87-6
C10H14
1-Isopropenyl-4-methylbenzene
1195-32-0
C10H12
3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro2387-78-2
C15H24
1,4,9,9-tetramethyl-, [3aR-(3aa,4b,7a)]-;
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1- 23726-93-4 C13H18O
yl)-, (E)Azulene, 1,2,4,5,8,8a-hexahydro-3-isopropyl-6,8a16661-00-0
C15H24
dimethyl25152-84-5 C10H16O
25152-83-4 C10H16O

1008.9
1022.4
1178.0
1238.6
1133.6
1212.4
1335.6
1506.2
1260.4
1577.9
1016.8
1031.8
1215.2
1271.3
1153.7
1228.1
1352.4
1528.6
1276.7
1580.2
1186.3
1211.1
[1879]
2033.2
1475.3
1763.9
1656.5
[1765]
1615.2
[2141]
1375.5
1376.2
1491.0
1427.3
1433.1
1579.8
1051.7
1163.4
1156.7
1352.2
1077.4
1192.9
1183.6
1351.4
2073.0
1954.2
1674.8
1460.4
1383.5
1386.6
1541.7
1504.9
1514.9
1941.7
1489.0
1488.9
[1900]
1619.9
1636.5
2067.8
1605.5
1612.3
[2074]
1614.0
1625.5
2088
1212.6
1504.8
1237.9
1506.6
1784.1
1816.1
1503.0
1512.9
1737.0
1472.7
1480.3
1692.1
1196.1
1368.4
1218.3
1368.2
1610.3
1483.2
1270.1
1164.6
[1012]
[1032]
1015.1
1073.7
1398.7
1287.7
1183.9
1022.0
1041.0
1024.3
1087.9
1397.8
2100.7
1848.3
1277.0
[1310]
1270.1
1437.5
1528.0
1363.4
1385.5
1820.9
1376.8
1380.6
1495.2
1290.5
1273.1
1317.6
1296.3
1808.2
1756.1
043101-8
Name
c-Decalactone
d-Decalactone
Decanal
Decanoic acid
1-Decanol
2-Decenal, (E)Decyl acetate
Dehydro-1,8-cineole
Dendrolasin
Dihydrocarveol
Dihydrocarvone, transDill apiole
1,4-Dimethoxybenzene
2,5-Dimethoxy-p-cymene
Dimethyl trisulfide
Dodecanal
Dodecanoic acid
1-Dodecanol
2-Dodecenal, (E)b-Elemene
c-Elemenec
d-Elemene
Elemicin
Elemol
b-Elemol
4,5-Epoxy-2-decenal, (E)Ethyl acetate
Ethyl benzoate
Ethyl butanoate
Ethyl decanoate
Ethyl dodecanoate
Ethyl hexadecanoate
Ethyl hexanoate
Ethyl isovalerate
Ethyl linoleate
Ethyl octanoate
Ethyl pentanoate
Ethyl tetradecanoate
2-Ethylfuran
Eudesm-7(11)-en-4-ol
Eudesma-4(15),7-dien-1b-ol
a-Eudesmol
b-Eudesmol
c-Eudesmol
c-Eudesmol, 10-epiEugenol
Eugenol acetate
Systematic name
2(3H)-Furanone, 5-hexyldihydro2H-Pyran-2-one, tetrahydro-6-pentyl-
1-Hydroxydecane
Acetic acid, decyl ester
2-Oxabicyclo[2.2.2]oct-5-ene, 1,3,3-trimethylFuran, 3-(4,8-dimethyl-3,7-nonadienyl)-, (E)Cyclohexanol, 2-methyl-5-(1-methylethenyl)-,
(1a,2b,5a)Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)Benzene, 1,4-dimethoxy-2-methyl-5-(1-methylethyl)2,3,4-Trithiapentane
Lauraldehyde
Lauric acid
Lauryl alcohol
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1methylethenyl)-, [1S-(1a,2b,4b)]Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)4-(1-methylethylidene)-, (1R-trans)Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)1-(1-methylethyl)-, (3R-trans)Benzene, 1,2,3-trimethoxy-5-(2-propenyl)Cyclohexanemethanol, 4-ethenyl-a,a,4-trimethyl-3-(1methylethenyl)-, [1R-(1a,3a,4b)]Cyclohexanemethanol, 4-ethenyl-a,a,4-trimethyl-3-(1methylethenyl)-, [1R-(1a,3b,4b)]trans-4,5-Epoxy-(E)-2-decenal
Acetic acid, ethyl ester
Benzoic acid, ethyl ester
Butyric acid, ethyl ester
Capric acid ethyl ester
Lauric acid, ethyl ester
Palmitic acid, ethyl ester
Caproic acid ethyl ester
3-Methylbutanoic acid ethyl ester
9,12-Octadecadienoic acid (Z,Z)-, ethyl ester
Caprylic acid ethyl ester
Valeric acid, ethyl ester
Myristic acid, ethyl ester
CAS
Formula
706-14-9
705-86-2
112-31-2
334-48-5
112-30-1
3913-81-3
112-17-4
66113-06-2
23262-34-2
38049-26-2
C10H18O2
C10H18O2
C10H20O
C10H20O2
C10H22O
C10H18O
C12H24O2
C10H16O
C15H22O
C10H18O
1426.9
1448.0
1185.7
1363.5
1258.5
1239.1
1392.3
979.8
1561.3
1181.9
1470.6
1498.0
1205.4
1375.5
1272.1
1263.4
1407.1
989.8
1576.5
1194.5
2135.3
2187.8
1495.9
2273.7
1754.7
1639.7
1677.3
1192.5
[1954]
1707.3
5948-04-9
484-31-1
150-78-7
14753-08-3
3658-80-8
112-54-9
143-07-7
112-53-8
20407-84-5
515-13-9
C10H16O
C12H14O4
C8H10O2
C12H18O2
C2H6S3
C12H24O
C12H24O2
C12H26O
C12H22O
C15H24
1184.9
1596.3
1138.4
[1407]
948.3
1389.2
1563.7
1459.8
1444.3
1388.0
1201.4
1621.7
1167.6
1421.4
971.7
1408.1
1569.2
1472.8
1468.4
1390.4
1623.1
2346.3
[1728]
1868.1
1376.2
1711.5
2486.5
1959.3
1865.8
1590.9
29873-99-2
C15H24
1449.3
1436.4
1639.1
20307-84-0
C15H24
1340.3
1337.0
1468.8
487-11-6
639-99-6
C12H16O3
C15H26O
1521.4
1536.2
1553.6
1547.5
2231.3
2078.8
32142-08-8
C15H26O
1537.2
[1548]
2087.7
134454-31-2
141-78-6
93-89-0
105-54-4
110-38-3
106-33-2
628-97-7
123-66-0
108-64-5
544-35-4
106-32-1
539-82-2
124-06-1
3208-16-0
473-04-1
C10H16O2
C4H8O2
C9H10O2
C6H12O2
C12H24O2
C14H28O2
C18H36O2
C8H16O2
C7H14O2
C20H36O2
C10H20O2
C7H14O2
C16H32O2
C6H8O
C15H26O
[1362]
597.7
1151.4
785.3
1380.0
1578.2
1978.1
983.4
836.1
2150.5
1181.4
882.9
1778.0
689.1
1681.6
1380.9
611.2
1171.3
799.0
1395.0
1593.3
1991.5
999.6
853.1
2158.8
1196.2
901.2
1793.9
704.6
1692.3
2000.7
886.4
1665.1
1035.7
1636.2
1839.7
2249.3
1233.4
1066.9
2521.9
1434.9
1136.1
2045.7
953.2
[2302]
1675.8
1688.0
2371.3
1641.1
1651.7
2222.7
1633.7
1650.1
2238.0
1616.5
1630.9
2176.1
1607.9
1618.7
2105.8
1339.6
1484.5
1357.8
1523.7
2162.7
2266.3
1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1methylethylidene)-, [1R-(1a,4ab,8aa)]1-Naphthalenol, 1,2,3,4,4a,5,8,8a-octahydro-8a-methyl- 119120-23-9 C15H24O

4-methylene-6-(1-methylethyl)-, [1R-(1a,4ab,8aa)]2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro473-16-5
C15H26O
a,a,4a,8-tetramethyl-, [2R-(2a,4aa,8ab)]2-Naphthalenemethanol, 1,2a,3,4,4a,5,6,7,8,8aa473-15-4
C15H26 O
decahydro-a,a,4ab-trimethyl-8-methylene2-Naphthalenemethanol, 1,2,3,4,4a,5,6,7-octahydro1209-71-8 C15 H26O
a,a,4a,8-tetramethyl-, (2R-cis)2-Naphthalenemethanol, 1,2,3,4,4a,5,6,7-octahydro15051-81-7 C15H26O
a,a,4a,8-tetramethyl-, (2R-trans)Phenol, 2-methoxy-4-(2-propenyl)97-53-0
C10H12O2
Phenol, 2-methoxy-4-(2-propenyl)-, acetate
93-28-7
C12H14O3
RETENTION INDICES
043101-9
Name
b-Farnesene, (E)a-Farnesene, (E,E)a-Farnesene, (Z,E)b-Farnesene, cisFarnesol, (2Z,6E)Farnesol, (2E,6E)
Farnesol, (2Z,6Z)Farnesol, (2E,6Z)Farnesyl acetate, (2E,6E)Farnesyl acetone, (5E,9E)
a-Fenchene
Fenchol, endo-c
Fenchonec
Fenchyl acetate, endoFuraneol
Furfural
Furfural, 5-methylFurfuryl alcohol
Geranial
Geraniol
Geranyl acetate
Geranyl butanoate
Geranyl formate
Geranyl isobutanoate
Geranyl isovalerate
Geranyl propanoate
Geranyl tiglate
Geranylacetone
Germacrene A
Germacrene B
Germacrene D
Germacrene-D-4-olc
Gleenol
Globulol
Globulol, epio-Guaiacol
Guaiacol, 4-ethylGuaiacol, p-vinyla-Guaiene
b-Guaiene, cisb-Guaiene, transGuaiol
a-Gurjunene
Systematic name
CAS
Formula
1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (Z)2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (Z,E)2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,E)2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (Z,Z)2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,Z)2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate,
(2E,6E)5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)Bicyclo[2.2.1]heptane, 7,7-dimethyl-2-methyleneBicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, endo1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate,
(1R,2R,4S)-rel2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran
2-Formylfuran
2-Formyl-5-methylfuran
2-(Hydroxymethyl)furan
2,6-Octadienal, 3,7-dimethyl-, (E)2,6-Octadien-1-ol, 3,7-dimethyl-, (E)2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)2,6-Octadien-1-ol, 3,7-dimethyl-, butyrate, (E)2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2E)Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6octadienyl ester
2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (E)2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6octadienyl ester, (E,E)5,9-Undecadien-2-one, 6,10-dimethyl-, (E)1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethenyl)-,
[S-(E,E)]1,5-Cyclodecadiene, 1,5-dimethyl-8-(1methylethylidene)-, (E,E)1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1methylethyl)-, [S-(E,E)]2,7-Cyclodecadien-1-ol, 1,7-dimethyl-4-(1methylethyl)-, (2E,4S,7E)Spiro[4.5]dec-1-en-6-ol, 2,10-dimethyl-7-(1methylethyl)-, [5S-(5a,6b,7b,10a)]1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7tetramethyl-, (1aa,4a,4aa,7a,7ab,7ba)1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7tetramethyl-, [1aR-(1aa,4b,4aa,7a,7ab,7ba)]1-Hydroxy-2-methoxybenzene
2-Methoxy-4-ethylphenol
2-Methoxy-4-ethenylphenol
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1methylethenyl)-, [1S-(1a,4a,7a)]Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1methylethylidene)-, (1S-cis)Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1methylethylidene)-, trans5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-a,a,3,8tetramethyl-, [3S-(3a,5a,8a)]1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro1,1,4,7-tetramethyl-, [1aR-(1aa,4a,4ab,7ba)]-
18794-84-8
502-61-4
26560-14-5
28973-97-9
3790-71-4
106-28-5
16106-95-9
3879-60-5
4128-17-0
C15H24
C15H24
C15H24
C15H24
C15H26O
C15H26O
C15H26O
C15H26O
C17H28O2
1449.3
1496.3
1480.6
1443.7
1704.7
1709.6
1686.9
1691.3
1818.1
1455.9
1504.1
1490.9
1445.9
1722.5
1743.5
1694.4
1713.6
1842.3
1663.9
1743.9
1727.9
1651.4
2356.8
[2366]
2324.4
[2341]
2259.2
1117-52-8
471-84-1
14575-74-7
1195-79-5
4057-31-2
C18H30O
C10H16
C10H18O
C10H16O
C12H20O2
1914.2
945.2
1100.7
1072.8
1209.0
1919.5
949.4
1115.1
1087.6
1219.7
[2377]
1061.0
1570.0
1399.5
[1480]
3658-77-3
98-01-1
620-02-0
98-00-0
141-27-5
106-24-1
105-87-3
106-29-6
105-86-2
2345-26-8
109-20-6
C6H8O3
C5H4O2
C6H6O2
C5H6O2
C10H16O
C10H18O
C12H20O2
C14H24O2
C11H18O2
C14H24O2
C15H26O2
1029.8
806.5
933.3
832.2
1247.1
1238.9
1361.4
1537.1
1282.5
1491.3
1587.5
1072.3
834.6
967.3
862.6
1270.3
1254.9
1379.9
1562.6
1303.1
1514.4
1599.3
2031.1
1460.9
1573.6
1656.3
1725.0
1839.3
1751.1
1879.0
1696.9
1789.6
1904.1
105-90-8
7785-33-3
C13H22O2
C15H24O2
1449.3
1673.7
1476.8
1700.8
1815.5
2099.3
3796-70-1
28387-44-2
C13H22O
C15H24
1431.1
1490.6
1451.8
1502.1
1854.9
1747.4
15423-57-1
C15H24
1535.1
1550.9
1823.8
23986-74-5
C15H24
1475.9
1480.6
1708.2
198991-79-6
C15H26O
1568.3
1574.2
2056.9
72203-99-7
C15H26O
1574.2
1582.8
[2051]
51371-47-2
C15H26O
1578.9
1581.8
2082.4
88728-58-9
C15H26O
[1567]
1584.8
[2100]
90-05-1
2785-89-9
7786-61-0
3691-12-1
C7H8O2
C9H12O2
C9H10O2
C15H24
1064.4
1253.6
1283.7
1442.4
1092.1
1280.2
1317.4
1439.6
1859.8
2029.9
2185.6
[1652]
88-84-6
C15H24
1478.6
1488.8
1663.9
192053-49-9
C15H24
1492.0
1499.2
[1532]
489-86-1
C15H26O
1588.9
1597.1
2088.9
489-40-7
C15H24
1405.6
1408.6
1529.1
043101-10
Name
b-Gurjunene
c-Gurjunene
2-Heptadecanone
2,4-Heptadienal, (2E,4E)Heptanal
Heptanoic acid
2-Heptanol
1-Heptanol
2-Heptanone
5-Hepten-2-ol, 6-methyl2-Heptenal, (E)Hexadec-9-enoic acid, (Z)Hexadecanal
Hexadecanoic acid
1-Hexadecanol
2,4-Hexadienal-, (2E,4E)Hexahydrofarnesylacetone
Hexanal
Hexanoic acid
1-Hexanol
1-Hexanol, 2-ethyl2-Hexen-1-ol, (E)3-Hexen-1-ol, (E)3-Hexen-1-ol, (Z)2-Hexen-1-ol, acetate, (E)2-Hexenal, (E)3-Hexenal, (Z)3-Hexenyl acetate, (Z)3-Hexenyl benzoate, (Z)3-Hexenyl butanoate, (Z)Hexyl 2-methyl butanoate
Hexyl acetate
Hexyl benzoate
Hexyl butanoate
a-Himachalene
b-Himachalene
c-Himachalenec
Himachalol
Hotrienolc
a-Humulene
b-Humulene
Humulene epoxide II
a-Humulene oxide
Indole
Intermedeol
a-Ionone, (E)-
Systematic name
CAS
Formula
1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7boctahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)()Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1methylethenyl)-, [1R-(1a,3ab,4a,7b)]-
17334-55-3
C15H24
1430.4
1431.2
1596.7
22567-17-5
C15H24
1467.3
1472.2
1668.2
2922-51-2
4313-03-5
111-71-7
111-14-8
543-49-7
111-70-6
110-43-0
1569-60-4
18829-55-5
373-49-9
629-80-1
57-10-3
36653-82-4
142-83-6
502-69-2
66-25-1
142-62-1
111-27-3
104-76-7
928-95-0
928-97-2
928-96-1
2497-18-9
6728-26-3
6789-80-6
3681-71-8
25152-85-6
16491-36-4
10032-15-2
142-92-7
6789-88-4
2639-63-6
3853-83-6
C17H34O
C7H10O
C7H14O
C7H14O2
C7H16O
C7H16O
C7H14O
C8H16O
C7H12O
C16H30O2
C16H32O
C16H32O2
C16H34O
C6H8O
C18H36O
C6H12O
C6H12O2
C6H14O
C8H18O
C6H12O
C6H12O
C6H12O
C8H14O2
C6 H10O
C6H10 O
C8H14O2
C13H16O2
C10H18O2
C11H22O2
C8H16 O2
C13 H18O2
C10H20O2
C15H24
1883.1
982.6
880.7
1076.7
885.7
955.5
868.4
974.9
930.5
1935.2
1797.1
1955.4
1861.6
879.2
1832.9
776.9
985.1
854.9
1015.3
850.0
836.8
842.3
993.4
827.3
770.3
985.9
1549.8
1166.4
1224.3
995.9
1554.3
1176.9
1444.8
1903.4
1011.5
902.0
1080.1
899.4
968.6
891.7
991.8
960.5
1951.1
1816.5
1968.4
1879.7
913.2
1844.4
799.9
996.4
869.7
1030.6
864.5
852.8
856.6
1011.5
853.0
799.5
1004.0
1569.5
1184.7
1236.3
1010.4
1581.8
1191.5
1445.1
2229.7
1491.0
1185.1
1950.9
1315.3
1448.8
1182.3
1463.8
1321.6
[2944]
2132.0
2913.2
2374.9
1401.7
2124.8
1082.0
1843.3
1351.4
1487.9
1399.9
1372.8
1380.2
1332.2
1216.3
1139.1
1315.9
2119.4
1456.1
1428.1
1273.5
2074.6
1414.1
1663.9
1461-03-6
C15H24
1500.8
1501.0
1723.1
53111-25-4
C15H24
1471.2
1475.9
1708.7
1891-45-8
C15H26O
[1648]
1649.4
2240.8
53834-70-1
6753-98-6
116-04-1
C10H16O
C15H24
C15H24
1087.6
1449.3
1448.0
1106.8
1453.1
1442.5
1602.5
1666.7
1673.2
19888-34-7
C15H24O
1597.1
1604.7
2047.3
19888-33-6
C15H24O
1590.7
1601.5
2019.6
120-72-9
6168-59-8
C8H7N
C15H26O
1273.3
1636.1
1298.4
1666.2
2440.5
2243.0
127-41-3
C13H20O
1411.2
1425.6
1843.4
1-Methylhexanal
cis-Palmitoleic acid
Palmitaldehyde
Palmitic acid
1-Cetanol
Sorbic aldehyde
6,10,14-Trimethyl-2-pentadecanone
Caproic aldehyde
Caproic acid
Caproyl alcohol
3-Hexen-1-ol, acetate, (3Z)Butanoic acid, 3-hexenyl ester, (Z)Butyric acid, 2-methyl-, hexyl ester
Acetic acid, hexyl ester
Benzoic acid, hexyl ester
Butyric acid, hexyl ester
1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro3,5,5-trimethyl-9-methylene-, (4aS-cis)1H-Benzocycloheptene, 2,4a,5,6,7,8-hexahydro3,5,5,9-tetramethyl-, (R)1H-Benzocycloheptene, 2,4a,5,6,7,9a-hexahydro3,5,5,9-tetramethyl-, (4aS-cis)1H-Benzocyclohepten-9-ol, 2,4a,5,6,7,8,9,9aoctahydro-3,5,5,9-tetramethyl-, [4aS-(4aa,9a,9aa)]1,5,7-Octatrien-3-ol, 3,7-dimethyl-, (E)1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)Cycloundecadiene, 1,4,4-trimethyl-8-methylene-,
(E,E)12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8tetramethyl-, (E,E)-(1R,11R)-(-)12-Oxabicyclo[9.1.0]dodeca-4,7-diene, 1,5,9,9tetramethyl-, (E,E)-(1R,11R)-(-)2,3-Benzopyrrole
1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1methylethenyl)-, (1S,4aS,7R,8aS)3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,
(E)-
RETENTION INDICES
043101-11
Name
b-Ionone, (E)Isoborneolc
Isobornyl acetate
Isobutanol
a-Isocomene
iso-Dihydrocarveol
Isoitalicene
Isomenthone
Isopentyl acetate
Isopentyl isovalerate
Isophorone
Isophytol
Isopulegone, transIsospathulenol
Isovaleric acid
Italicene
Jasmone, (Z)4-Ketoisophorone
Lavandulol
Lavandulyl acetate
Ledol
Limonen-4-ol
Limonenec
Limonene oxide, cisLimonene oxide, trans-c
Linalool
Linalool acetate
Linalool oxide (pyranoid), transLinalool oxide, (furanoid), cisLinalool oxide, (furanoid), transLinalool propanoate
Linoleic acid
Longiborneol
Longicyclene
Longifolene
a-Longipinene
Manool
Systematic name
CAS
Formula
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,
(E)Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exoBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate,
exo1-Propanol, 2-methylCyclopenta[c]pentalene, 1,2,3,3a,5a,6,7,8-octahydro1,3a,4,5a-tetramethyl-, (1R,3aS,5aS,8aR)Cyclohexanol, 2-methyl-5-(1-methylethenyl)-,
(1a,2b,5b)Cyclopenta[1,4]cyclobuta[1,2]benzene,
1,2,3,3a,4,4a,7,8-octahydro-1,4,4,6-tetramethyl-,
(1R,3aR,4aR,8aR)-rel-()Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis1-Butanol, 3-methyl-, acetate
Butanoic acid, 3-methyl-, 3-methylbutyl ester
1,1,3-Trimethyl-3-cyclohexene-5-one
1-Hexadecen-3-ol, 3,7,11,15-tetramethylCyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans1H-Cycloprop[e]azulen-7-ol, 1a,2,3,5,6,7,7a,7boctahydro-1,1,4,7-tetramethyl-, [1aR(1aa,7b,7ab,7ba)]Butanoic acid, 3-methylCyclopenta[1,4]cyclobuta[1,2]benzene,
1,2,3,3a,4,4a,7,8-octahydro-1,4,4,6-tetramethyl-,
(1R,3aS,4aS,8aS)-rel-(-)2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)2,6,6-Trimethyl-2-cyclohexen-1,4-dione
4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate,
(2R)1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7tetramethyl-, (1aS,4S,4aR,7S,7aR,7bR)3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethenyl)1-Methyl-4-(1-methylethenyl)cyclohexene
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1methylethenyl)-, (1a,4a,6a)7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1methylethenyl)-, (1a,4b,6a)3,7-Dimethyl-1,6-octadien-3-ol
1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-,
trans2-Furanmethanol, 5-ethenyltetrahydro-a,a,5-trimethyl-,
cis2-Furanmethanol, 5-ethenyltetrahydro-a,a,5-trimethyl-,
trans1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate
9,12-Octadecadienoic acid (Z,Z)1,4-Methanoazulen-9-ol, decahydro-1,5,5,8atetramethyl-, (1R,3aR,4S,8aS,9S)-()1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-,
(1S,2R,3aR,4R,8aR,9S)1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9methylene-, [1S-(1a,3ab,4a,8ab)]Tricyclo[5.4.0.02,8]undec-9-ene, 2,6,6,9-tetramethyl-,
(1R,2S,7R,8R)1-Naphthalenepropanol, a-ethenyldecahydro-a,5,5,8atetramethyl-2-methylene-, (aR,1S,4aS,8aS)-
79-77-6
C13H20O
1466.2
1485.9
1935.5
124-76-5
125-12-2
C10H18O
C12H20O2
1147.8
1271.0
1158.2
1285.9
1659.1
1572.9
78-83-1
65372-78-3
C4H10O
C15H24
616.1
1388.1
630.5
1382.7
1089.3
1388.1
18675-35-9
C10H18O
[1212]
1213.4
[1800]
94482-89-0
C15H24
1378.0
1396.7
1490.5
491-07-6
123-92-2
659-70-1
78-59-1
505-32-8
29606-79-9
88395-46-4
C10H18O
C7H14O2
C10H20O2
C9H14O
C20H40O
C10H16O
C15H24O
1146.5
858.4
1088.4
1091.9
1938.5
1155.6
1625.6
1159.1
875.0
1103.6
1127.2
1946.8
1176.6
1633.5
1483.8
1121.4
1293.8
1591.2
2292.5
1596.2
2230.8
503-74-2
94535-52-1
C5H10O2
C15H24
826.3
1406.9
860.4
1401.9
1666.5
[1543]
488-10-8
1125-21-9
498-16-8
20777-39-3
C11H16O
C9H12O2
C10H18O
C12H20O2
1368.9
1104.1
1155.0
1273.2
1394.6
1147.4
1168.2
1289.2
1955.2
1682.5
1679.4
1602.3
577-27-5
C15H26O
1582.5
1566.8
2039.1
3419-02-1
138-86-3
13837-75-7
C10H16O
C10H16
C10H16O
1158.2
1023.7
1117.9
1177.3
1029.5
1134.0
1688.1
1198.2
1450.5
4959-35-7
C10H16O
1122.7
1137.5
1461.6
78-70-6
115-95-7
39028-58-5
C10H18O
C12H20O2
C10H18O2
1086.3
1242.3
1161.8
1099.0
1255.2
1171.0
1543.3
1554.0
1738.5
5989-33-3
C10H18O2
1065.1
1075.1
1446.0
34995-77-2
C10H18O2
1072.3
1083.3
1454.3
144-39-8
60-33-3
465-24-7
C13H22O2
C18H32O2
C15H26O
1318.3
2105.0
1592.2
1336.0
2128.9
1591.7
[1604]
[3290]
2157.2
1137-12-8
C15H24
1371.1
1376.9
1489.4
475-20-7
C15H24
1404.0
1406.8
1577.3
5989-08-2
C15H24
1350.6
1352.1
[1469]
596-85-0
C20H34O
2047.5
2057.3
[2628]
043101-12
Name
Manool, 13-epi-
Manoyl oxide
p-Menth-2-en-1-ol, cisp-Menth-2-en-1-ol, transp-Mentha-1,5-dien-8-ol

p-Mentha-2,8-dien-1-ol, cisp-Mentha-2,8-dien-1-ol, trans1(7),8-p-Menthadien-2-ol, cis1(7),8-p-Menthadien-2-ol, trans1,3,8-p-Menthatriene
Menthofuran
Mentholc
Menthonec
Menthyl acetate
Methional
Methyl 3-phenylpropionate
p-Methyl anisole
Methyl benzoate
Methyl chavicol
Methyl cinnamate, transMethyl decanoate
Methyl eugenol
Methyl geranate
Methyl hexadecanoate
Methyl hexanoate
Methyl linoleate
Methyl octadecanoate
Methyl octanoate
Methyl oleate
Methyl salicylate
Methyl tetradecanoate
3-Methyl-1-butanol
6-Methyl-5-hepten-2-one
p-Methylacetophenone
3-Methylbutanal
2-Methylpropyl 3-methylbutanoate
Muurola-4 (14),5-diene, cisa-Muurolenec
c-Muurolene
a-Muurolol
a-Muurolol, epiMyrcene
Myrcenol
Myristicin
Myrtenalc
Myrtenol
Systematic name
CAS
Formula
1438-62-6
C20H34O
1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro3,4a,7,7,10a-pentamethyl-, [3S(3a,4aa,6ab,10aa,10bb)]1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro596-84-9
C20H34O
3,4a,7,7,10a-pentamethyl-, [3R(3a,4ab,6aa,10ab,10ba)]2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis29803-82-5 C10H18O
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans- 29803-81-4 C10H18O
2,4-Cyclohexadiene-1-methanol, a,a,4-trimethyl1686-20-0
C10H16O
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, cis- 3886-78-0
C10H16O
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-,
7212-40-0
C10H16O
transCyclohexanol, 2-methylene-5-(1-methylethenyl)-, cis22626-43-3 C10H16O
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-,
21391-84-4 C10H16O
trans1,3-Cyclohexadiene, 1-methyl-4-(1-methylethenyl)18368-95-1
C10H14
Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl494-90-6
C10H14O
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-;
89-78-1
C10H20O
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans89-80-5
C10H18O
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate,
89-48-5
C12H22O2
(1a,2b,5a)Propionaldehyde, 3-(methylthio)3268-49-3
C4H8OS
3-Phenylpropanoic acid methyl ester
103-25-3
C10H12O2
1-Methoxy-4-methylbenzene
104-93-8
C8H10O
Benzoic acid, methyl ester
93-58-3
C8H8O2
Benzene, 1-methoxy-4-(2-propenyl)140-67-0
C10H12O
2-Propenoic acid, 3-phenyl-, methyl ester, (E)1754-62-7 C10H10O2
Decanoic acid, methyl ester
110-42-9
C11H22O2
Benzene, 1,2-dimethoxy-4-(2-propenyl)93-15-2
C11H14O2
Methyl 3,7-dimethyl-2,6-octadienoate
2349-14-6 C11H18O2
Palmitic acid, methyl ester
112-39-0
C17H34O2
Hexanoic acid, methyl ester
106-70-7
C7H14O2
9,12-Octadecadienoic acid (Z,Z)-, methyl ester
112-63-0
C19H34O2
Stearic acid, methyl ester
112-61-8
C19H38O2
Octanoic acid, methyl ester
111-11-5
C9H18O2
9-Octadecenoic acid (Z)-, methyl ester
112-62-9
C19 H36O2
2-Hydroxybenzoic acid methyl ester
119-36-8
C8H8O3
Myristic acid, methyl ester
124-10-7
C15H30O2
Isopentyl alcohol
123-51-3
C5H12O
2-Methyl-2-heptene-6-ketone
110-93-0
C8H14O
1-(4-Methylphenyl)-1-ethanone
122-00-9
C9H10O
Isovaleraldehyde
590-86-3
C5H10O
Isovaleric acid, isobutyl ester
589-59-3
C9H18O2
Naphthalene, 1,2,3,4,4a,5,6,7-octahydro-4-methyl-7157477-72-0 C15H24
methylene-1-(1-methylethyl)-, [1S-(1a,4a,4aa)]Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-131983-22-9
C15H24
(1-methylethyl)-, (1a,4aa,8aa)Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-430021-74-0
C15H24
methylene-1-(1-methylethyl)-, (1a,4aa,8aa)1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,619435-97-3 C15H26O
dimethyl-4-(1-methylethyl)-, [1R-(1a,4b,4ab,8ab)]1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,619912-62-0 C15H26O
dimethyl-4-(1-methylethyl)-, [1S-(1a,4a,4aa,8aa)]3-Methylene-7-methyl-1,6-octadiene
123-35-3
C10H16
2-Methyl-6-methylene-7-octen-2-ol
543-39-5
C10H18O
1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)607-91-0
C11H12O3
6,6-Dimethylbicyclo[3.1.1]-hept-2-ene-2564-94-3
C10H14O
carboxaldehyde
6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol
515-00-4
C10H16O

2008.3
2010.2
[2676]
1990.4
1993.1
[2376]
1114.7
1114.4
1145.0
1117.1
1107.0
1123.1
1136.7
1166.6
1131.4
1127.5
1614.1
1584.2
[1674]
1652.1
[1639]
1202.5
1171.6
1233.0
1180.5
1894.9
1803.1
1100.7
1152.7
1162.7
1136.9
1281.4
1111.7
1164.2
1177.3
1150.5
1295.8
1411.0
1482.4
1630.4
1465.3
1554.8
866.2
1246.5
1001.9
1073.9
1178.1
1362.4
1309.1
1376.1
1302.3
1909.4
907.2
2078.8
2112.1
1109.6
2081.3
1172.5
1709.4
720.6
964.4
1161.4
632.5
989.3
1449.8
907.5
1278.6
1023.8
1094.2
1195.8
1375.4
1325.5
1401.8
1323.1
1924.2
924.1
2091.1
2126.7
1127.5
2096.1
1192.9
1723.3
737.5
985.9
1182.7
651.6
1008.5
1463.6
1456.1
1854.5
1431.7
1615.5
1671.4
2074.6
1596.3
2006.3
1688.4
2210.6
1184.6
2493.8
2414.7
1388.8
2437.3
1767.8
1996.2
1206.9
1336.9
1773.8
921.5
1186.4
[1643]
1491.0
1498.3
1723.4
1473.0
1476.2
1689.8
1626.6
1642.9
2183.1
1631.2
1640.8
2186.4
983.1
1097.1
1494.4
1170.8
989.2
1113.1
1518.4
1192.0
1160.9
[1585]
2261.4
1631.5
1182.4
1194.1
1790.4
RETENTION INDICES
043101-13
Name
Myrtenyl acetate
Naphthalene
neo-Menthol
Nepetalactone, 4aa,7a,7aa
Neral
Nerol
Nerol oxide
Nerolidol, (E)Nerolidol, (Z)-c
Neryl acetate
Neryl formate
Neryl propanoate
2,4-Nonadienal, (2E,4E)2,6-Nonadienal, (2E,6Z)c-Nonalactone
Nonanal
Nonanoic acid
2-Nonanol
1-Nonanol
2-Nonanone
2-Nonenal, (E)2-Nonenal, (Z)Nonyl acetate
Nootkatone
Nopinonec
b-Ocimene, (E)b-Ocimene, (Z)Octadecanoic acid
1-Octadecanol
2,4-Octadienal-, (2E,4E)Octanal
Octanoic acid
1-Octanol
3-Octanol
Octanol acetate
3-Octanone
2-Octen-1-ol, (E)1-Octen-3-ol
1-Octen-3-one
1-Octen-3-yl acetate
2-Octenal (E)Oleic acid
b-Oplopenone
Palustrol
a-Patchoulene
Patchouli alcohol
Pentadecanal
Pentadecanoic acid
2-Pentadecanone
Pentanal
1-Pentanol
Systematic name
Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-,
acetate, (1S,5R)Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2a,5b)Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro4,7-dimethyl-, [4aS-(4aa,7a,7aa)]2,6-Octadienal, 3,7-dimethyl-, (Z)2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1propenyl)1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (Z)2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)trans-2,trans-4-Nonadienal
2-trans-6-cis-Nonadienal
Nonanoic acid, 4-hydroxy-, c-lactone
1-Octanecarboxylic acid
1-Methyl-1-octanol
1-Hydroxynonane
Heptyl methyl ketone
Acetic acid, nonyl ester

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4adimethyl-6-(1-methylethenyl)-, [4R-(4a,4aa,6b)]6,6-Dimethylbicyclo[3.1.1]heptan-2-one
1,3,6-Octatriene, 3,7-dimethyl-, (E)1,3,6-Octatriene, 3,7-dimethyl-, (Z)Stearic acid
Stearic alcohol
Caprylaldehyde
Caprylic acid
Caprylic alcohol
Acetic acid, octyl ester
Ethyl pentyl ketone
trans-2-Octen-1-ol
Amyl vinyl ketone
1-Pentylallyl acetate
trans-2-Octenal
9-Octadecenoic acid (Z)Ethanone, 1-[octahydro-4-methylene-7-(1methylethyl)-1H-inden-1-yl]-, [1S-(1a,3ab,7a,7aa)]4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7tetramethyl-, [1aR-(1aa,4b,4ab,7a,7ab,7ba)]1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro1,4,9,9-tetramethyl-, (1a,3aa,7a,8ab)1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9tetramethyl-, [1R-(1a,4b,4aa,6b,8aa)]Pentadecylic acid
Methyl tridecyl ketone
Valeraldehyde
Amyl alcohol
CAS
Formula
1079-01-2
C12H18O2
1305.6
1328.6
1691.9
91-20-3
491-01-0
21651-62-7
C10H8
C10H20O
C10H14O2
1164.6
1157.2
1326.7
1186.2
1167.4
1369.2
1735.6
1578.1
[1970]
106-26-3
106-25-2
1786-08-9
C10H16O
C10H18O
C10H16O
1220.3
1216.2
1139.7
1242.1
1228.9
1154.7
1678.5
1794.6
1468.6
40716-66-3
3790-78-1
141-12-8
2142-94-1
105-91-9
5910-87-2
557-48-2
104-61-0
124-19-6
112-05-0
628-99-9
143-08-8
821-55-6
18829-56-6
60784-31-8
143-13-5
4674-50-4
C15H26O
C15H26O
C12H20O2
C11H18O2
C13H22O2
C9H14O
C9H14O
C9H16O2
C9H18O
C9H18O2
C9H20O
C9H20O
C9H18O
C9H16O
C9H16O
C11H22O2
C15H22O
1550.1
1524.4
1343.8
1265.9
1430.6
1187.2
1125.9
1323.1
1083.8
1268.9
1089.8
1157.2
1073.0
1135.6
1125.3
1293.8
1776.5
1560.9
1543.6
1362.9
1285.0
[1452]
1215.8
1154.7
1363.5
1103.3
1275.3
1098.6
1173.4
1092.5
1162.2
1146.8
1309.2
1813.4
2036.3
2007.3
1718.1
1674.1
1777.7
1696.1
1582.2
2026.1
1391.5
2159.1
1519.6
1655.7
1391.3
1535.9
1501.9
1578.6
2548.3
24903-95-5
3779-61-1
3338-55-4
57-11-4
112-92-5
30361-28-5
124-13-0
124-07-2
111-87-5
589-98-0
112-14-1
106-68-3
18409-17-1
3391-86-4
4312-99-6
2442-10-6
2548-87-0
112-80-1
28305-60-4
C9H14O
C10H16
C10H16
C18H36O2
C18H38O
C8H12O
C8H16O
C8H16O2
C8H18O
C8H18O
C10H20O2
C8H16O
C8H16O
C8H16O
C8H14O
C10H18O2
C8H14O
C18H34O2
C15H24O
1106.8
1038.4
1028.9
2158.7
2060.0
1087.3
982.4
1174.7
1057.0
983.8
1193.7
965.9
[1053.5]
965.9
955.9
1091.3
1035.5
[2113]
1592.9
1135.5
1047.7
1037.8
2172.4
2082.8
1113.9
1002.8
1182.0
1071.5
993.2
1209.3
984.5
1066.8
980.0
978.0
1110.3
1060.2
2133.2
1604.0
1573.1
1250.4
1234.5
3148.3
2586.4
1605.3
1287.2
2057.1
1551.6
1391.9
1474.6
1254.8
1610.3
1444.2
1301.0
1379.7
1429.5
[3200]
2084.5
5986-49-2
C15H26O
1562.1
1566.8
1930.4
560-32-7
C15H24
1451.3
1457.2
5986-55-0
C15H26O
1653.2
1659.8
[2156]
2765-11-9
1002-84-2
2345-28-0
110-62-3
71-41-0
C15H30O
C15H30O2
C15H30O
C5H10O
C5H12O
1695.5
1853.8
1680.8
675.4
753.5
1714.4
1867.8
1699.1
700.3
765.5
[2041]
[2822]
2015.9
975.3
1247.1
043101-14
Name
1-Penten-3-ol
2-Pentenol, (Z)2-Pentylfuran
Perilla alcohol
Perilla aldehyde
Perillene
Phellandral
a-Phellandrene
b-Phellandrene
Phenol
Phenylacetonitrile
Phenylethyl 3-methylbutanoate
2-Phenylethyl acetate
2-Phenylethyl alcohol
b-Phenylethyl tiglate
Phytol
a-Pinene
b-Pinene
Pinene hydrate, transa-Pinene oxide
Pinocamphone, cis
Pinocamphone, trans
Pinocarveol, transPinocarvone
Piperitenone
Piperitenone oxide
Piperitol, cis-c
Piperitol, transPiperitone
Pulegonec
Rose oxide, cis-c
Rose oxide, trans-c
Sabina ketone
Sabinene
Sabinene hydrate acetate, cisSabinene hydrate acetate, transSabinene hydrate, cisSabinene hydrate, transSabinol, cisSabinol, transSafrole
Salicylaldehyde
Salvial-4(14)-en-1-one
a-Santalenec
Systematic name
1-Ethylallyl alcohol
cis-2-Penten-1-ol
2-Amylfuran
1-Cyclohexene-1-methanol, 4-(1-methylethenyl)1-Cyclohexene-1-carboxaldehyde, 4-isopropenylFuran, 3-(4-methyl-3-pentenyl)1-Cyclohexene-1-carboxaldehyde, 4-isopropyl1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)Cyclohexene, 3-methylene-6-(1-methylethyl)(Cyanomethyl)benzene
Isovaleric acid, phenethyl ester
Acetic acid, phenethyl ester
Benzeneethanol
2-Butenoic acid, 2-methyl-, 2-phenylethyl ester, (E)2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-,
(2E,7R,11R)2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-, (1a,2b,5a)3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethylBicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-,
(1a,2b,5a)Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-,
(1a,2a,5a)Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-,
[1S-(1a,3a,5a)]Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene2-Cyclohexen-1-one, 3-methyl-6-(1-methylethylidene)7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1methylethylidene)2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, cis2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans3-Methyl-6-isopropyl-2-cyclohexen-1-one
Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (R)-;
2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1propenyl)-, (2R,4S)2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1propenyl)-, (2R,4R)Bicyclo[3.1.0]hexan-2-one, 5-isopropyl1-Isopropyl-4-methylenebicyclo[3.1.0]hexane
Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-,
acetate, (1a,2a,5a)Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-,
acetate, (1a,2b,5a)Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-,
(1a,2a,5a)Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-,
(1a,2b,5a)Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1methylethyl)-, (1a,3a,5a)Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1methylethyl)-, (1a,3b,5a)Benzene, 4-allyl-1,2-(methylenedioxy)2-Hydroxybenzaldehyde
4(1H)-Azulenone, octahydro-3a-methyl-7-methylene-1(1-methylethyl)-, [1S-(1a,3aa,8aa)]-;
Tricyclo[2.2.1.02,6]heptane, 1,7-dimethyl-7-(4-methyl3-pentenyl)-, (-)-
CAS
Formula
616-25-1
1576-95-0
3777-69-3
536-59-4
2111-75-3
539-52-6
21391-98-0
99-83-2
555-10-2
108-95-2
140-29-4
140-26-1
103-45-7
60-12-8
55719-85-2
150-86-7
C5H10O
C5H10O
C9H14O
C10H16O
C10H14O
C10H14O
C10H16O
C10H16
C10H16
C6H6O
C8H7N
C13H18O2
C10H12O2
C8H10O
C13H16O2
C20H40O
665.7
746.8
978.9
1282.1
1252.1
1101.2
1250.1
999.1
1021.3
956.6
1097.7
1464.9
1229.7
1088.2
1556.8
2099.1
690.1
771.2
991.9
1296.3
1273.4
1098.6
1274.9
1004.1
1030.0
983.3
1146.5
1490.5
1258.8
1114.9
1590.0
2116.4
1157.7
1315.7
1232.1
2006.6
1793.9
1425.3
1723.9
1167.7
1209.3
1992.1
1912.1
1969.5
1812.9
1903.7
[2210]
2613.4
80-56-8
127-91-3
4948-29-2
1686-14-2
15358-88-0
C10H16
C10H16
C10H18O
C10H16O
C10H16O
934.5
973.1
1107.8
1084.9
1152.6
936.1
977.7
1121.2
1097.0
1172.8
1025.4
1110.0
[1522]
1363.9
1544.6
547-60-4
C10H16O
1143.9
1162.0
1523.4
547-61-5
C10H16O
1126.2
1140.0
1661.2
30460-92-5
491-09-8
35178-55-3
C10H14O
C10H14O
C10H14O2
1140.3
1316.9
1342.3
1160.6
1340.7
1366.5
1575.5
1909.1
[1983]
16721-38-3
16721-39-4
89-81-6
89-82-7
4610-11-1
C10H18O
C10H18O
C10H16O
C10H16O
C10H18O
1186.3
1191.1
1232.7
1222.7
1096.4
1194.7
1205.3
1253.6
1234.3
1112.5
1750.5
1710.4
1729.9
1654.5
1350.1
5258-11-7
C10H18O
1115.7
1128.4
1367.3
513-20-2
3387-41-5
77318-48-0
C9H14O
C10H16
C12H20O2
1141.0
967.9
1212.5
1155.7
973.0
1218.7
[1651]
1122.0
[1564]
77318-47-9
C12H20O2
1238.5
1253.4
[1610]
17699-16-0
C10H18O
1056.3
1066.5
1460.2
15826-82-1
C10H18O
1086.7
1098.1
1548.9
3310-02-9
C10H16O
1135.6
1142.4
1800.6
29606-76-6
C10H16O
1130.9
1139.2
1717.0
94-59-7
90-02-8
73809-82-2
C10H10O2
C7H6O2
C15H24O
1271.2
1019.5
1584.7
1286.7
1046.5
1593.4
1868.1
1670.9
2035.9
512-61-8
C15H24
1415.9
1421.8
1582.7
RETENTION INDICES
043101-15
Name
b-Santalene
Santolina triene
Selin-11-en-4a-ol
Selina-3,7(11)-diene
a-Selinene
b-Selinene
a-Selinene, 7-epib-Sesquiphellandrene
Sesquisabinene hydrate, cisSesquisabinene hydrate, transa-Sinensal
b-Sinensal
Spathulenol
Styrene
Tagetone, (E)Tagetone, (Z)Terpine-1-ol
Terpinen-4-ol
Terpinen-4-ol acetate
a-Terpinene
c-Terpinene
a-Terpineol
d-Terpineol
b-Terpineol, cisTerpinolene
a-Terpinyl acetate
Tetradecanal
Tetradecanoic acid
1-Tetradecanol
Thuja-2,4(10)-diene
a-Thujene
Thujone, cisThujone, transThujopsene, cisThymol
Thymol acetate
Thymol, methyl ether
Tricyclene
Tridecanal
Tridecanoic acid
2-Tridecanone
Umbellulone
Undecanal
Undecanoic acid
1-Undecanol
Systematic name
CAS
Formula
Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4511-59-1
C15H24
methyl-3-pentenyl)-, (1S,2R,4R)1,4-Hexadiene, 2,5-dimethyl-3-vinyl2153-66-4
C10H16
1-Naphthalenol, decahydro-1,4a-dimethyl-7-(116641-47-7 C15H26O
methylethenyl)-, [1R-(1a,4ab,7b,8aa)]Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,86813-21-4
C15H24
dimethyl-2-(1-methylethylidene)-, (4aR-trans)Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8473-13-2
C15H24
dimethyl-2-(1-methylethenyl)-, [2R-(2a,4aa,8ab)]Naphthalene, decahydro-4a-methyl-1-methylene-7-(117066-67-0
C15H24
methylethenyl)-, [4aR-(4aa,7a,8ab)]Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8123123-37-5 C15H24
dimethyl-2-(1-methylethenyl)-, [2S-(2a,4ab,8aa)]Cyclohexene, 3-[(1S)-1,5-dimethyl-4-hexenyl]-620307-83-9
C15H24
methylene-, (3R)Bicyclo[3.1.0]hexan-2-ol, 5-[(1R)-1,5-dimethyl-458319-05-4 C15H26O
hexenyl]-2-methyl-, (1S,2R,5R)Bicyclo[3.1.0]hexan-2-ol, 5-(1,5-dimethyl-4-hexenyl)- 145512-84-1 C15H26O
2-methyl-, (1R,2R,5S)-rel2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)17909-77-2 C15H22O
2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene60066-88-8 C15H22O
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,76750-60-3
C15H24O
trimethyl-4-methylene-, [1aR-(1aa,4aa,7b,7ab,7ba)]Ethenylbenzene
100-42-5
C8H8
5,7-Octadien-4-one, 2,6-dimethyl-, (E)6752-80-3
C10H16O
5,7-Octadien-4-one, 2,6-dimethyl-, (Z)3588-18-9
C10H16O
1-Methyl-4-(1-methylethyl)-3-cyclohexen-1-ol
586-82-3
C10H18O
1-(1-Methylethyl)-4-methyl-3-cyclohexen-1-ol
562-74-3
C10H18O
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-,
4821-04-9 C12H20O2
acetate
1-Isopropyl-4-methyl-1,3-cyclohexadiene
99-86-5
C10H16
1-Isopropyl-4-methyl-1,4-cyclohexadiene
99-85-4
C10H16
3-Cyclohexene-1-methanol, a,a,4-trimethyl98-55-5
C10H18O
Cyclohexanemethanol, a,a-dimethyl-4-methylene7299-42-5
C10H18O
Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, cis7299-41-4
C10H18O
4-Isopropylidene-1-methylcyclohexene
586-62-9
C10H16
3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate
80-26-2
C12H20O2
Myristaldehyde
124-25-4
C14H28O
Myristic acid
544-63-8
C14H28O2
Myristic alcohol
112-72-1
C14H30O
4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hex-2-ene 36262-09-6
C10H14
2-Methyl-5-isopropylbicyclo[3.1.0]-2-hexene
2867-05-2
C10H16
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1546-80-5
C10H16O
methylethyl)-, [1S-(1a,4a,5a)]Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1471-15-8
C10H16O
methylethyl)-, [1S-(1a,4b,5a)]Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro470-40-6
C15H24
2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-(-)1-Methyl-3-hydroxy-4-isopropylbenzene
89-83-8
C10H14O
Phenol, 5-methyl-2-(1-methylethyl)-, acetate
528-79-0
C12H16O2
1-Isopropyl-2-methoxy-4-methylbenzene
1076-56-8
C11H16O
1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane
508-32-7
C10H16
10486-19-8 C13H26O
Tridecylic acid
638-53-9
C13H26O2
Methyl undecyl ketone
593-08-8
C13H26O
Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(124545-81-1 C10H14O
methylethyl)Undecylic aldehyde
112-44-7
C11H22O
Undecylic acid
112-37-8
C11H22O2
Undecyl alcohol
112-42-5
C11H24O

1453.0
1458.5
1644.9
903.3
1641.1
907.4
1654.9
1036.1
2252.0
1537.9
1540.5
1783.2
1489.5
1493.4
1725.3
1480.7
1486.1
1716.9
1507.9
1517.2
1764.2
1513.2
1523.5
1771.4
1534.8
1541.1
2081.5
1584.4
1583.4
[2092]
1727.5
1669.6
1566.4
1753.5
1694.0
1576.4
2300.8
2229.3
2126.6
978.9
[1123]
[1136]
1134.0
1164.5
1283.1
890.5
1127.3
1149.4
1136.1
1177.1
1302.1
1261.5
[1501]
[1517]
1572.9
1601.2
1640.1
1010.9
1050.3
1175.6
1148.1
1129.3
1079.3
1332.8
1594.7
1753.3
1663.1
945.3
925.9
1090.9
1017.1
1059.7
1189.7
1164.5
1143.9
1086.9
1347.0
1612.3
1767.3
1676.3
955.6
927.8
1105.1
1177.8
1245.0
1694.0
1679.3
[1639]
1282.4
1694.8
1926.9
2686.8
2152.4
1122.0
1026.6
1423.1
1098.4
1114.5
1439.6
1433.9
1432.0
1631.8
1271.8
1342.7
1214.1
921.9
1491.1
1659.1
1478.8
1152.4
1290.1
1356.4
1234.3
923.2
1511.6
1668.9
1499.4
1171.4
2164.3
[1867]
1587.2
1012.4
1818.5
[2617]
1808.1
1641.7
1285.9
1458.0
1357.9
1306.5
1474.4
1373.6
1605.1
2390.7
1853.3
043101-16
Name
2-Undecanone
2-Undecenal, (E)Valencene
Valeranonec
Vanillin
Veratrole
Verbenene
Verbenol, cis-c
Verbenol, transVerbenone
Viridiflorene
Viridiflorol
a-Ylangene
b-Ylangene
Yomogi alcohol
a-Zingiberene
Systematic name
CAS
Formula
Methyl nonyl ketone

trans-2-Undecen-1-al
Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl7-(1-methylethenyl)-, [1R-(1a,7b,8aa)]1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1methylethyl)-, (4aa,7b,8aa)3-Methoxy-4-hydroxybenzaldehyde
Bicyclo[3.1.1]hept-2-ene, 6,6-dimethyl-4-methyleneBicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-,
(1a,2b,5a)Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-,
(1a,2a,5a)4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one
1H-Cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro1,1,4,7-tetramethyl-, [1aR-(1aa,7a,7ab,7ba)]1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7tetramethyl-, [1aR-(1aa,4b,4ab,7a,7ab,7ba)]Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1methylethyl)-, (1S,2R,6R,7R,8S)Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8(1-methylethyl)-, (1R,2S,6S,7S,8R)-rel3,6-Heptadien-2-ol, 2,5,5-trimethyl-, (E)1,3-Cyclohexadiene, 5-[(1S)-1,5-dimethyl-4-hexenyl]2-methyl-, (5R)-
112-12-9
53448-07-0
4630-07-3
C11H22O
C11H20O
C15H24
1275.6
1341.4
1483.0
1293.1
1364.6
1491.7
1598.1
1747.6
1728.6
55528-90-0
C15H26O
1654.2
1671.8
2145.1
121-33-5
91-16-7
4080-46-0
1845-30-3
C8H8O3
C8H10O2
C10H14
C10H16O
1358.0
1112.6
945.7
1125.9
1404.7
1148.1
963.3
1144.4
2569.5
1720.3
1123.8
1659.8
1820-09-3
C10H16O
1133.7
1144.2
1680.3
80-57-9
21747-46-6
C10H14O
C15H24
1184.4
1488.9
1206.2
1492.2
1720.5
1696.2
552-02-3
C15H26O
1579.9
1590.8
2089.8
14912-44-8
C15H24
1370.0
1369.9
1484.1
20479-06-5
C15H24
1416.3
1421.7
1576.9
26127-98-0
495-60-3
C10H18O
C15H24
987.7
1482.9
996.3
1495.3
1395.1
1720.7
DIMSdimethylsilicone, DIMS5Pdimethylsilicone with 5% phenyl groups, PEGpolyethylene glycol, CASChemical Abstract Service registry number.
RI estimates were provided in brackets for cross-reference purposes, when average values were not calculated.
c
See Table 2 for related enantiomers or racemic mixtures.
b
TABLE 2. Related enantiomers and racemic mixtures

Component name
a-Bisabolol
a-Bisabolol, epiBorneol
a-Cadinene
Calamenene, cisCamphene
Camphor
Carvone
Cuparene
c-Elemene
Fenchol, endoFenchone
Germacrene-D-4-ol
c-Himachalene
Hotrienol
Isoborneol
Limonene
Limonene oxide, transMenthol
Menthone
a-Muurolene
Related enantiomers and racemic mixtures (names and CAS Registry numbers)
(-)-a-Bisabolol23089-26-1; DL-a-Bisabolol515-69-5
(-)-epi-a-Bisabolol78148-59-1
(6)-Borneol507-70-0; D-Borneol464-43-7
(6)-a-Cadinene82468-90-4; (-)-a-Cadinene24406-05-1
(6)-cis-Calamenene72937-55-4; (-)-cis-Calamenene483-77-2
DL-Camphene79-92-5; D-Camphene5794-03-6
DL-Camphor76-22-2; D-Camphor 464-49-3; L-Camphor464-48-2
DL-Carvone99-49-0; L-Carvone 6485-40-1; D-Carvone2244-16-8
()-Cuparene16982-00-6; (-)-Cuparene56324-31-3
()-c-Elemene30824-67-0
(-)-endo-Fenchol512-13-0
()-Fenchone4695-62-9; (6)- Fenchone1195-79-5
2,7-Cyclodecadien-1-ol, 1,7-dimethyl-4-(1-methylethyl)-, (1S,2E,4S,7E)-74841-87-5;
2,7-Cyclodecadien-1-ol, 1,7-dimethyl-4-(1-methylethyl)-, (2E,4S,7E)-198991-79-6
(-)-c-Himachalene53111-25-4
(6)-trans-Hotrienol53834-70-1; ()- Hotrienol24278-80-6; (-)-trans-Hotrienol20053-88-7
DL-Isoborneol124-76-5
D-Limonene5989-27-5; DL-Limonene138-86-3; L-Limonene5989-54-8
(D)-Limonene oxide, trans-6909-30-4
DL-Menthol89-78-1; L-Menthol2216-51-5; D-Menthol15356-60-2
DL-Menthone89-80-5; D-Menthone1196-31-2
()-a-Muurolene17627-24-6; (-)-a-Muurolene10208-80-7
RETENTION INDICES
043101-17
TABLE 2. Related enantiomers and racemic mixturesContinued

Component name
Related enantiomers and racemic mixtures (names and CAS Registry numbers)
Myrtenal
Nerolidol, (Z)Nopinone
Piperitol, cisPulegone
Rose oxide, cisRose oxide, transa-Santalene
Valeranone
Verbenol, cis-
(6)-Myrtenal564-94-3; (-)-Myrtenal18486-69-6
(6)-cis-Nerolidol3790-78-1; ()-cis-Nerolidol142-50-7
(-)-Nopinone77982-63-9; ()-Nopinone38651-65-9
(6)-cis-Piperitol16721-38-3; ()-cis-Piperitol34350-53-3
D-Pulegone89-82-7; (-)-Pulegone3391-90-0
()-cis-Rose oxide4610-11-1; (-)-cis-Rose oxide3033-23-6; (6)-cis-Rose oxide876-17-5
(-)-trans-Rose oxide5258-11-7; (6) trans-Rose oxide876-18-6; ()-trans-Rose oxide5258-10-6
(-)-a-Santalene512-61-8; (6)-a-Santalene 27353-28-2
(6)-Valeranone55528-90-0; ()-Valeranone1803-39-0; (-)-Valeranone5090-54-0
(6)-cis-Verbenol1845-30-3; (-)-cis-Verbenol18881-04-4
TABLE 3. Retention indices of essential oil components for dimethylsilicone stationary phase
Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
2,3-Butanedione
Ethyl acetate
Isobutanol
Acetic acid
3-Methylbutanal
Butanal, 2-methyl1-Butanol
1-Penten-3-ol
Pentanal
Acetoin
2-Ethylfuran
3-Methyl-1-butanol
Butan-1-ol, 2-methyl2-Pentenol, (Z)2-Buten-1-ol, 3-methyl1-Pentanol
3-Hexenal, (Z)Hexanal
Ethyl butanoate
Furfural
Butanoic acid
Isovaleric acid
2-Hexenal, (E)Butanoic acid, 2-methylFurfuryl alcohol
Ethyl isovalerate
3-Hexen-1-ol, (E)3-Hexen-1-ol, (Z)2-Hexen-1-ol, (E)1-Hexanol
Isopentyl acetate
Methional
2-Heptanone
2,4-Hexadienal-, (2E,4E)Heptanal
Ethyl pentanoate
2-Acetylfuran
2-Heptanol
Santolina triene
Methyl hexanoate
36
123
80
24
88
51
115
31
72
48
17
114
52
17
10
113
10
201
89
100
22
24
109
14
55
20
46
129
71
155
65
37
106
11
112
35
55
48
12
71
565.6
597.7
616.1
622.1
632.5
642.8
651.6
665.7
675.4
684.3
689.1
720.6
721.9
746.8
750.6
753.5
770.3
776.9
785.3
806.5
806.8
826.3
827.3
828.2
832.2
836.1
836.8
842.3
850.0
854.9
858.4
866.2
868.4
879.2
880.7
882.9
883.8
885.7
903.3
907.2
9.7
10.2
12.1
25.9
8.1
10.5
8.7
7.9
7.7
13.8
7.2
9.4
7.3
8.5
7.2
9.9
5.1
6.7
7.0
8.6
18.9
18.7
7.1
12.0
10.7
6.1
10.3
10.1
7.3
11.3
4.9
6.0
6.0
3.1
6.3
5.4
7.3
5.2
2.9
3.1
562
600
615
622
633
643
651
665
675
681.5
690
719
722
747
751.5
753
769.5
776
785
804
806.5
826.5
827
829
829
838
836
840
849
854
859
865
869
878
879
883
884
886
903
907
558570
595602
609624
611646
628638
637649
646658
659673
671679
674693
555582
578612
594641
575650
617649
628665
636665
653676
664692
666709
676705
706738
709735
734764
739762
747760
764779
769788
774800
795825
778830
803855
817844
814844
821857
824844
823853
829862
840862
837878
851866
856875
859877
876884
873897
875891
875896
879894
900910
902914
716725
718726
740770
772779
781789
799816
795823
806841
824830
826835
832840
830844
834848
845855
849859
855861
862870
865872
877883
880887
878889
882888
905909
Comment (c)
(d)
043101-18

TABLE 3. Retention indices of essential oil components for dimethylsilicone stationary phaseContinued
Name
N (a)
Tricyclene
a-Thujene
2-Heptenal, (E)Furfural, 5-methyla-Pinene
Benzaldehyde
a-Fenchene
Thuja-2,4(10)-diene
Verbenene
Camphene
Dimethyl trisulfide
1-Heptanol
1-Octen-3-one
Phenol
1-Octen-3-ol
3-Octanone
Sabinene
b-Pinene
5-Hepten-2-ol, 6-methyl2-Pentylfuran
Styrene
Dehydro-1,8-cineole
Octanal
2,4-Heptadienal, (2E,4E)Myrcene
Ethyl hexanoate
3-Octanol
Hexanoic acid
3-Hexenyl acetate, (Z)Yomogi alcohol
2-Hexen-1-ol, acetate, (E)Hexyl acetate
d-2-Carene
a-Phellandrene
p-Methyl anisole
3-Carene
1,4-Cineole
a-Terpinene
m-Cymene
p-Cymene
1-Hexanol, 2-ethylBenzyl alcohol
Benzeneacetaldehyde
Salicylaldehyde
b-Phellandrene
1,8-Cineole
Limonene
b-Ocimene, (Z)Furaneol
o-Cymene
2-Octenal, (E)b-Ocimene, (E)Acetophenone
Artemisia ketone
c-Terpinene
92
297
31
55
569
208
41
12
14
356
57
75
23
97
98
122
37
376
485
4
63
78
25
157
24
482
80
47
38
55
10
15
10
96
33
289
19
186
19
296
44
528
30
105
104
15
188
348
599
272
19
37
30
303
94
16
412
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
921.9
925.9
930.5
933.3
934.5
936.6
945.2
945.3
945.7
947.4
948.3
955.5
955.9
956.6
964.4
965.9
965.9
967.9
973.1
974.9
978.9
978.9
979.8
982.4
982.6
983.1
983.4
983.8
985.1
985.9
987.7
989.3
993.4
995.9
997.7
999.1
1001.9
1007.2
1008.9
1010.9
8.4
6.5
4.6
7.0
8.3
13.8
7.5
7.1
3.8
9.1
8.4
9.3
4.1
12.2
7.9
6.9
3.2
7.5
8.3
1.2
3.4
7.7
4.9
4.9
8.1
5.0
5.3
6.0
18.1
5.8
4.1
2.8
4.2
8.4
9.5
6.5
7.0
9.2
4.9
8.1
921
924
930
933
933
933
944
943
946
946
949
954
956
956
964
964
966
967
972
918926
922930
927932
927937
930938
926945
941950
979
878
980
981
982.5
983
982
984
983
986
988
989
995
995
998
998
1003
1005
1010
1010
977981
873884
975982
979985
979988
981986
980986
980986
9731005
984988
1015.1
1015.3
1015.4
1016.1
1019.5
1021.3
1022.4
1023.7
1028.9
1029.8
7.7
3.1
13.4
21.5
10.3
9.4
8.8
7.6
6.8
7.4
1014
1015
1009
1011
1024
1021
1022
1023
1028
1029
10101018
10131018
10051025
10061018
1035.5
1038.4
1041.5
1048.3
1050.3
4.9
6.3
12.5
9.1
7.3
1034
1038
1040
1045
1050
10311040
10351042
10311047
908936
916938
926941
924946
924951
921965
937959
937957
937953
936965
935964
941974
952962
932979
942973
958980
961971
958981
962987
974977
973984
870896
973989
975992
967994
975991
976993
974995
9511010
977996
982996
985994
983997
9841012
9831013
9901009
9861015
9971027
9981019
10011024
9981037
10041029
10101020
10021040
10021043
10031031
10051036
10131039
10121038
10171040
10231049
10091076
10301045
10271050
10271067
10391069
10351062
941953
941952
951960
953958
950964
961968
961970
964969
963972
968978
9911001
9911003
9951002
10011010
10071013
10181026
10181026
10201027
10251032
10471055
Comment (c)
(e)
(e)
(e)
RETENTION INDICES
043101-19
Name
N (a)
p-Cresol
2-Octen-1-ol, (E)Sabinene hydrate, cis1-Octanol
o-Guaiacol
Linalool oxide, (furanoid), cisArtemisia alcohol
Linalool oxide, (furanoid), transFenchone
2-Nonanone
p-Cymenene
Methyl benzoate
Heptanoic acid
Terpinolene
Nonanal
a-Pinene oxide
Linalool
Sabinene hydrate, trans2,4-Octadienal-, (2E,4E)Hotrienol
2-Phenylethyl alcohol
2-Nonanol
Thujone, cis1-Octen-3-yl acetate
Isophorone
Rose oxide, cisMyrcenol
Phenylacetonitrile
Thujone, transFenchol, endo1,3,8-p-Menthatriene
Perillene
4-Ketoisophorone
Chrysanthenone
a-Campholenal
Nopinone
p-Mentha-2,8-dien-1-ol, transPinene hydrate, transMethyl octanoate
Veratrole
p-Menth-2-en-1-ol, transp-Menth-2-en-1-ol, cisRose oxide, transallo-Ocimene
p-Mentha-2,8-dien-1-ol, cisLimonene oxide, cisLimonene oxide, transTagetone, (E)-
54
2
135
169
53
119
14
113
55
72
72
75
14
352
193
12
551
100
4
7
134
19
15
43
14
26
18
15
16
25
32
11
11
6
16
57
11
12
7
65
13
56
49
16
25
19
28
29
6
Camphor
2-Nonenal, (Z)2,6-Nonadienal, (2E,6Z)Verbenol, cisPinocarveol, transb-Terpineol, cisSabinol, trans-
222
8
21
35
72
6
13
Average
value
Standard
deviation
1051.7
8.7
1056.3
1057.0
1064.4
1065.1
1071.5
1072.3
1072.8
1073.0
1073.7
1073.9
1076.7
1079.3
1083.8
1084.9
1086.3
1086.7
1087.3
1087.6
1088.2
1088.4
1089.8
1090.9
1091.3
1091.9
1096.4
1097.1
1097.7
1098.4
1100.7
1100.7
1101.2
1104.1
1104.3
1106.8
1106.8
1107.0
1107.8
1109.6
1112.6
1114.4
1114.7
1115.7
1116.4
1117.1
1117.9
1122.7
6.8
8.3
10.8
8.8
5.1
9.5
9.4
9.5
5.5
10.7
14.1
7.2
6.3
11.6
7.6
11.6
1.9
2.4
10.2
5.5
7.2
8.8
4.8
9.4
2.2
9.9
7.7
9.2
9.4
13.7
11.2
9.0
7.5
9.4
11.0
4.2
7.5
5.5
4.5
11.2
11.4
7.1
8.6
6.9
6.7
5.8
1125.0
1125.3
1125.9
1125.9
1126.2
1129.3
1130.9
13.1
6.0
8.1
10.3
10.8
4.3
8.3
Median
value
50% RI
range
90% RI
range (b)
1052
10481056
1056
1057
1059
1064
1072
1074
1072
1072
1073
1071
1078
1079
1083
1087
1086
1087
10521060
10531061
10571071
10581068
10351065
10521055
10441066
10481073
10531087
10541081
10641082
10551085
10591087
10581093
10661082
10621096
10491103
10641091
10731097
10601100
10741098
10701107
10861090
10851090
10761105
10801100
10841109
10761104
10831100
10811112
10921100
10761111
10841111
10861115
10881122
10741118
10861119
10901117
10921122
10941126
10871129
10981111
10971130
11051122
11091126
10951130
10991130
11071130
11021133
11001127
11021126
11101130
11201136
1089
1086
1090
1087
1090
1093
1089
1097
1100
1098
1098
1100
1104
1099
1105
1103
1105
1108
1108
1103
1108
1111
1112
1114
1115
1116
1117
1118.5
1124
1123.5
1123
1124
1126
1126
1129
1131
10671078
10661080
10691077
10711078
10651081
10761083
10811086
10831089
10791094
10801095
10861098
10861097
10931100
10941104
11021113
11071110
11081123
11061126
11111118
11161122
11211125
11181130
11221127
11201131
11191131
Comment (c)
(f)
(d)
(f)
(d)
(g); 1132 (Ref. 50);

1135 (Ref. 51)
11061153
11181133
11171145
11101146
11061143
11251137
11201148
043101-20

Name
Citronellal
Verbenol, transTerpine-1-ol
2-Nonenal, (E)Sabinol, cisCamphene hydrate
Tagetone, (Z)Menthone
Nerol oxide
Pinocarvone
Sabina ketone
Benzyl acetate
Pinocamphone, trans
p-Mentha-1,5-dien-8-ol
Isomenthone
Isoborneol
d-Terpineol
Chrysanthenol, cisEthyl benzoate
Umbellulone
Pinocamphone, cis
Menthofuran
Borneol
Lavandulol
Isopulegone, transCryptone
1-Nonanol
neo-Menthol
Limonen-4-ol
Linalool oxide (pyranoid), transMenthol
p-Cresol, 2-methoxyTerpinen-4-ol
p-Cymen-8-ol
Naphthalene
3-Hexenyl butanoate, (Z)Myrtenal
1(7),8-p-Menthadien-2-ol, transMethyl salicylate
Octanoic acid
a-Terpineol
Hexyl butanoate
Cinnamaldehyde, cisMethyl chavicol
Ethyl octanoate
Dihydrocarveol
Myrtenol
Verbenone
Dihydrocarvone, transDecanal
Piperitol, cis2,4-Nonadienal, (2E,4E)Piperitol, transOctanol acetate
Average
value
Standard
deviation
67
61
8
56
10
18
11
1133.6
1133.7
1134.0
1135.6
1135.6
1135.8
5.2
12.6
10.7
6.0
6.9
7.8
72
10
12
65
5
46
19
18
37
49
29
9
73
8
18
12
250
39
5
26
64
19
5
21
11
62
14
440
86
136
35
81
8
73
33
465
42
5
50
54
18
94
61
11
159
29
16
29
79
1136.9
1138.4
1139.7
1140.3
1141.0
1141.1
1143.9
1145.0
1146.5
1147.8
1148.1
1150.3
1151.4
1152.4
1152.6
1152.7
1153.2
1155.0
1155.6
1156.7
1157.2
1157.2
1158.2
1161.4
1161.8
1162.7
1163.4
1164.5
1164.6
1164.6
1166.4
1170.8
1171.6
1172.5
1174.7
1175.6
1176.9
1178.0
1178.1
1181.4
1181.9
1182.4
1184.4
1184.9
1185.7
1186.3
1187.2
1191.1
1193.7
N (a)
8.3
16.1
2.7
10.4
9.8
11.2
9.4
8.4
7.7
8.8
10.5
3.5
10.2
8.3
4.6
10.4
10.7
7.2
2.6
7.2
6.1
4.4
7.8
8.5
9.4
9.4
6.3
9.3
10.0
15.2
5.4
9.0
4.2
9.3
17.0
9.3
4.1
12.7
7.5
5.3
5.1
8.9
9.3
13.6
6.3
7.9
4.2
7.5
4.7
Median
value
50% RI
range
90% RI
range (b)
1133
1131
11301137
11251144
1134.5
1133.5
1134.5
11321139
11261143
11141157
11201147
11271147
11281147
11271152
11241156
1136.5
1131
1139
1140
11311142
11351145
1138.5
1141
1143
1148
1149
1146
1152
1149
1152
1151.5
1151
1152
1153
1155
1156.5
1157
1157
1157
1160
1164
1165
1162
1163.5
1162
1161
1167
1171
1174
1172
1175
1175
1176
11341145
1177
1180
1181
1181.5
1184
1187
1185
1185
1187.5
1192
1193
11741181
11791183
11431151
11421156
11421153
11431156
11471157
11501160
11501163
11541161
11571164
11551170
11591170
11581169
11541173
11651170
11651175
11661179
11581187
11701180
11751178
11771186
11781191
11831188
11821190
11871195
11911196
Comment (c)
(g); 1140 (Ref. 44);

1147 (Ref. 45)
11251150
11221171
11361144
11211158
11261151
11281163
11341163
11311165
11301157
11311160
11341166
11461155
11391175
11421165
11461160
11351175
11341172
11451168
11521159
11481165
11471166
11511169
11511169
11511179
11471176
11481177
11551181
11481180
11481184
11421196
11541174
11531188
11651175
11601192
11531202
11591191
11731185
11611198
11691190
11751193
11741191
11691200
11671198
11621206
11771201
11761201
11801194
11801205
11881199
RETENTION INDICES
043101-21
Name
N (a)
b-Cyclocitral
Carveol, trans1(7),8-p-Menthadien-2-ol, cisCarveol, cisBornyl formate
Fenchyl acetate, endoiso-Dihydrocarveol
Citronellol
Sabinene hydrate acetate, cisCumin aldehyde
Nerol
Carvone
Neral
Carvotanacetone
Pulegone
p-Anisaldehyde
Hexyl 2-methyl butanoate
Piperitone
Chavicol
Sabinene hydrate acetate, transCinnamaldehyde, transGeraniol
2-Decenal, (E)Linalool acetate
Geranial
Chrysanthenyl acetate, cisp-Anisyl alcohol
Phellandral
Perilla aldehyde
Guaiacol, 4-ethyl1-Decanol
Citronellyl formate
Anethole, (E)Neryl formate
Nonanoic acid
p-Cymen-7-ol
Bornyl acetate
Isobornyl acetate
Safrole
Thymol
2,4-Decadienal, (2E,4Z)Lavandulyl acetate
Indole
2-Undecanone
Menthyl acetate
Perilla alcohol
Geranyl formate
Carvacrol
Guaiacol, p-vinylUndecanal
2,4-Decadienal, (2E,4E)Nonyl acetate
29
84
6
44
3
4
3
121
8
48
55
144
108
108
6
36
52
37
12
37
78
13
12
16
218
36
106
10
126
17
5
12
37
15
65
21
53
14
28
25
172
28
31
179
22
31
43
56
24
26
28
113
9
28
63
68
20
Average
value
Standard
deviation
Median
value
1196.1
1200.9
1202.5
1206.4
3.8
8.7
3.6
8.4
1196
1199
1204
1206
1209.0
4.5
1208
1212.4
1212.5
1212.6
1214.1
1216.2
1218.0
1220.3
1221.0
1221.5
1222.7
1222.7
1224.3
1229.7
1232.7
1236.9
1238.5
1238.6
1238.9
1239.1
1242.3
1246.5
1247.1
1248.4
1249.7
1250.1
1252.1
1253.6
1258.5
1260.4
1264.7
1265.9
1268.9
1270.1
1270.2
1271.0
1271.2
1271.8
1273.1
1273.2
1273.3
1275.6
1281.4
1282.1
1282.5
1282.7
1283.1
1283.7
1285.9
1290.5
1293.8
5.6
3.3
9.5
9.3
10.3
9.2
9.5
8.7
7.1
11.6
12.7
3.6
8.1
8.5
7.6
7.2
13.8
7.6
4.2
6.2
5.8
7.9
6.3
9.9
6.6
8.2
10.2
7.9
2.9
9.6
4.7
13.7
8.3
8.2
7.7
10.2
8.8
8.1
2.5
17.2
6.4
7.8
8.2
4.1
9.3
10.1
7.2
6.2
7.7
4.8
1211
1213.5
1215
1214
1213
1218
1217
1219.5
1224
1220
1221
1224
1228
1232.5
1234
1239.5
1235
1237
1239.5
1241
1245.5
1247
1248
1251
1252
1250
1257
1261
1264
1267
1268.5
1270
1270
1271
1269
1270
1272.5
1273
1271
1274
1281
1281
1282
1278
1282
1280
1287
1288
1292
50% RI
range
90% RI
range (b)
11941200
11951208
11891202
11891215
11981206
11961224
11991208
12051215
11511212
12071225
12091218
11961226
11991235
12061239
12061235
12111240
12131236
12051230
12081248
12061240
12181232
12211245
12211249
12261252
12261249
12221266
12311256
12321246
12341254
12391258
12361260
12381260
12421267
12371259
12411271
12431278
12471275
12551263
12531284
12561272
12491291
12601283
12591284
12591282
12581289
12601289
12601288
12681276
12481304
12691289
12681294
12741299
12771289
12721300
12701302
12741298
12741294
12821304
12901302
12001210
12081215
12041219
12081217
12091219
12121224
12141223
12191225
12151230
12111234
12241233
12281236
12341242
12361242
12391245
12421252
12461255
12551262
12601261
12581271
12601279
12651275
12651274
12651278
12641278
12661276
12681279
12721275
12611280
12721277
12781284
12761287
12801284
12751289
12801289
12851289
12871293
12911295
Comment (c)
1208 (Ref. 46)

1212 (Ref. 47)
12401247 (Ref. 40)
043101-22

Name
N (a)
Methyl geranate
Myrtenyl acetate
Methyl decanoate
Piperitenone
Linalool propanoate
Carvyl acetate, transc-Nonalactone
a-Terpinyl acetate
Carvyl acetate, cisCitronellyl acetate
Bicycloelemene
Eugenol
d-Elemene
2-Undecenal, (E)Piperitenone oxide
Thymol acetate
Neryl acetate
a-Longipinene
a-Cubebene
Carvacrol acetate
1-Undecanol
Vanillin
Geranyl acetate
4,5-Epoxy-2-decenal, (E)Methyl cinnamate, transb-Damascenone, (E)Decanoic acid
Cyclosativene
Jasmone, (Z)a-Ylangene
Longicyclene
a-Copaene
Methyl eugenol
Daucene
Isoitalicene
Ethyl decanoate
b-Bourbonene
b-Cubebene
b-Elemene
a-Isocomene
Dodecanal
Decyl acetate
Cyperene
Longifolene
a-Gurjunene
Italicene
Caryophyllene, (Z)a-Bergamotene, cisa-Cedrene
a-Ionone, (E)a-Santalene
b-Ylangene
b-Cedrene
Caryophyllene, (E)c-Decalactone
19
16
52
10
12
11
30
7
112
18
86
9
175
109
16
6
13
112
16
169
7
20
54
167
1
10
61
33
10
26
70
8
318
75
10
6
52
159
86
245
11
69
31
22
39
75
7
5
30
28
56
36
18
5
24
563
23
Average
value
Standard
deviation
Median
value
1302.3
1305.6
1309.1
1316.9
1318.3
1321.9
1323.1
1326.7
1332.8
1334.4
1335.6
1336.2
1339.6
1340.3
1341.4
1342.3
1342.7
1343.8
1350.6
1352.2
1354.4
1357.9
1358.0
1361.4
3.2
7.3
4.4
6.5
4.3
7.1
9.0
9.8
7.6
19.5
4.8
3.6
16.1
16.1
3.2
15.4
7.3
6.8
12.2
11.7
9.2
4.1
16.3
6.7
1302
1306
1307
1316
1318.5
1326
1324
1322
1333
1333
1335
1336
1335
1337
1340.5
1362.4
1363.4
1363.5
1368.4
1368.9
1370.0
1371.1
1375.5
1376.1
1376.8
1378.0
1380.0
1381.7
1383.5
1388.0
1388.1
1389.2
1392.3
1398.7
1404.0
1405.6
1406.9
14.2
7.8
13.1
6.1
7.1
9.7
5.8
9.6
11.2
4.8
2.5
3.7
9.6
7.7
12.4
7.9
6.8
3.4
8.1
14.2
9.4
4.5
1364
1361
1362
1368
1368
1371
1370.5
1375
1373
1379.5
1379
1379
1381
1385
1388
1388
1393
1398
1400
1406
1407
13871392
13901394
13941404
13961409
14001411
1407.7
1410.3
1410.9
1411.2
1415.9
1416.3
1417.7
1419.3
1426.9
14.1
9.4
14.8
7.7
10.2
7.2
8.2
11.7
9.3
1405
1413
1411
1411.5
1412
13961419
14061416
13991416
14051416
1421
1419
1425
14091424
14131424
14201430
1345
1343
1354.5
1351
1353
1357
1350
1361
50% RI
range
13061311
13171330
13301334
13331337
13271347
13311343
13411345
13451359
13561361
13461367
13581363
90% RI
range (b)
12981308
12901316
13051320
13041324
13121324
13121331
13081337
13171344
13241348
13101366
13311344
13301341
13231372
13221381
13371347
13261368
13301351
13361353
13271365
13341379
13441367
13501365
13401392
13551370
Comment (c)
(d)
(d)
1357 (Ref. 40)
1362 (Ref. 48)

13591368
13541371
13631376
13641376
13701380
13691378
13781382
13761386
13801389
13841391
13431380
13541375
13461388
13451406
13591379
13531385
13621378
13601392
13641402
13701382
13741381
13761387
13661400
13701394
13721403
13771405
13761401
13871398
13871409
13871433
13901422
14001415
13721422
13841430
13951424
13891436
14001422
14051435
14051425
14011427
14001442
14161447
(d)
(d)
(d)
(d)
(d)
(d)
(d)
RETENTION INDICES
043101-23
Name
N (a)
Average
value
Standard
deviation
b-Copaene
b-Gurjunene
Neryl propanoate
a-Bergamotene, transGeranylacetone
Thujopsene, cisAromadendrene
a-Guaiene
b-Farnesene, cis2-Dodecenal, (E)a-Himachalene
d-Decalactone
b-Humulene
b-Farnesene, (E)a-Humulene
c-Elemene
Geranyl propanoate
Muurola-4 (14),5-diene, cisa-Patchoulene
b-Santalene
Undecanoic acid
Alloaromadendrene
1-Dodecanol
b-Acoradiene
b-Ionone, (E)a-Amorphene
c-Gurjunene
b-Chamigrene
c-Himachalene
Ar-Curcumene
c-Curcumene
c-Muurolene
Germacrene D
b-guaiene, cis2-Tridecanone
a-Farnesene, (Z,E)b-Selinene
a-Zingiberene
Valencene
Eugenol acetate
Viridiflorene
Cubebol, epia-Selinene
Bicyclogermacrene
Germacrene A
a-Muurolene
Tridecanal
b-Guaiene, transMyristicin
a-Bisabolene, (Z)a-Farnesene, (E,E)b-Bisabolene
a-Bulnesene
b-Himachalene
b-Curcumene
42
71
8
86
58
10
104
34
45
10
13
15
6
186
398
45
17
5
6
11
3
147
42
6
13
91
23
27
14
5
91
20
146
304
18
38
9
140
42
60
11
38
11
107
160
19
151
32
6
6
19
10
120
175
27
11
15
1427.3
1430.4
1430.6
1431.1
1431.1
1433.9
1439.0
1442.4
1443.7
1444.3
1444.8
1448.0
1448.0
1449.3
1449.3
1449.3
1449.3
1449.8
1451.3
1453.0
1458.0
1459.1
1459.8
1461.8
1464.9
1466.2
1466.2
1467.3
1470.1
1471.2
1471.4
1472.7
1473.0
1475.9
1478.6
1478.8
1480.6
1480.7
1482.9
1483.0
1484.5
1488.9
1489.0
1489.5
1489.8
1490.6
1491.0
1491.1
1491.3
1492.0
1494.4
1496.2
1496.3
1499.9
1500.6
1500.8
1503.0
12.5
11.3
2.9
6.5
7.9
9.4
13.7
10.4
9.5
2.9
4.1
7.9
6.2
9.6
10.8
29.5
3.8
7.2
8.6
6.6
12.1
9.4
8.6
7.8
9.3
6.8
14.6
10.9
8.7
8.1
10.2
6.0
10.8
9.8
11.7
6.6
6.2
9.9
11.4
10.9
5.3
8.4
4.6
10.7
8.6
11.8
8.0
4.6
3.1
14.0
12.2
2.9
8.1
7.4
9.8
7.1
5.2
Median
value
50% RI
range
90% RI
range (b)
1426
1430
14181438
14261435
1432
1429
1430
1440
1442
1446
1445
1443
1447
1448.5
1448
1451
1438
1448
1454
1450.6
1450
14291435
14271431
14081446
14091448
14281436
14171440
14221453
14251451
14131463
14271455
14281458
14391449
14381451
14371463
14391454
14381466
14301466
14181499
14441461
14381455
14431464
14451467
14451469
14451477
14431474
14541475
14481483
14541480
14491491
14471484
14501479
14611480
14531489
14601481
14551494
14581491
14581490
14701492
14701492
14631498
14631494
14611498
14741493
14721499
14821498
14701509
14741501
14761509
14771502
14831499
14871495
14701503
14771517
14961501
14841509
14851511
14891517
14941517
14931513
14291446
14361452
14401449
14451452
14431455
14271482
1460
1460
1461
1465
1466
1470
1469
1474
1468
1472
1473
1472
1476
1482
1477
1480
1482
1487
1484
1485
1492
1488
1490
1491
1490
1493
1490
1492
14531464
14561465
1493
1496
1495
1500
1502
1499
1502
14871450
14621470
14511475
14611475
14651475
14711474
14671479
14711481
14751481
14761486
14741490
14771490
14841494
14841495
14861495
14861496
14881494
14921500
14951505
14921503
Comment (c)
(d)
(d)
(d)
(d)
(d)
(d)
1445 (Ref. 49)
(h)
(d)
043101-24

Name
N (a)
Cuparene
Cubebol
c-Cadinene
Citronellyl butanoate
a-Selinene, 7-epiCalamenene, cisc-Bisabolene, (Z)Calamenene, transb-Sesquiphellandrene
d-Cadinene
Elemicin
Nerolidol, (Z)c-Bisabolene, (E)a-Cadinene
a-Calacorene
a-Bisabolene, (E)Sesquisabinene hydrate, cisGermacrene B
Elemol
Geranyl butanoate
b-Elemol
b-Calacorene
3-Hexenyl benzoate, (Z)Nerolidol, (E)Hexyl benzoate
Caryophyllenyl alcohol
Dendrolasin
Palustrol
Dodecanoic acid
Spathulenol
Globulol, epiGermacrene-D-4-ol
Caryophyllene oxide
Gleenol
b-Copaen-4a-ol
Ethyl dodecanoate
Globulol
Viridiflorol
Ledol
Sesquisabinene hydrate, transSalvial-4(14)-en-1-one
Geranyl isovalerate
Guaiol
a-Humulene oxide
Longiborneol
Carotol
b-Oplopenone
Tetradecanal
Dill apiole
Humulene epoxide II
Cedrol
Cubenol, 1,10-di-epic-Eudesmol, 10-epi1-Cubenol, epi-
20
21
202
8
7
90
13
32
54
346
33
34
41
10
54
63
10
8
90
90
29
11
10
21
24
154
24
11
9
3
16
31
192
8
20
317
6
7
38
89
79
56
9
11
17
34
19
5
6
12
39
7
49
24
14
28
40
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
1504.8
1504.9
1505.7
1506.2
1507.9
1509.6
1511.7
1512.8
1513.2
1513.9
1521.4
1523.9
1524.4
1525.6
1526.6
1530.4
1533.6
1534.8
1535.1
1536.2
1537.1
1537.2
1537.9
1547.1
1549.8
1550.1
1554.3
1556.8
1560.0
1561.3
1562.1
1563.7
1566.4
8.7
9.0
10.3
3.3
12.6
10.6
3.1
6.3
6.9
8.4
6.3
8.3
11.1
4.4
10.2
9.5
4.2
9.2
25.7
10.9
8.7
3.4
4.1
8.4
7.7
8.6
6.3
3.6
5.9
3.5
7.8
18.8
10.4
1504
1507.5
1507
1506
1508
1510
1512
1512.5
1514
1515
1521
1525
1524
1525.5
1528
1531
1533
14981510
14991512
14991512
1544
1535
1534
1537
1540
1548
1549
1549
1552
1555
1559
15281554
15301543
15321540
1568.3
1570.0
1574.2
1577.9
1578.2
1578.9
1579.9
1582.5
1584.4
1584.7
1587.5
1588.9
1590.7
1592.2
1592.8
1592.9
1594.7
1596.3
1597.1
1597.1
1605.5
1607.9
1614.0
8.4
11.6
2.3
4.7
5.5
11.3
11.2
17.2
10.7
6.5
9.2
7.9
12.9
9.4
5.0
6.0
8.6
9.9
9.2
13.3
7.5
8.3
10.1
1570
1573
1574
1575
1578
1579
1580
1585.5
1580
1584
1585
1588.5
1588
1592
1594
1592
1592
1595
1598
1598
1608
1613
1617
14901519
14871515
14901521
15031511
14921527
14921528
15051516
15051524
15001523
14981526
15121531
15111536
15091543
15201532
15061542
15141543
15271543
15211540
14831562
15181555
15291555
15301543
15301542
15271555
15401563
15381565
15451565
15541566
15511572
15581565
15481579
15441601
15491580
15401597
15531579
15491587
15721578
15721584
15661588
15611595
15611598
15451601
15731602
15761593
15731605
15761603
15701612
15791603
15871600
15861607
15851614
15821613
15751609
15761615
15901614
15951617
15951628
1562.5
1558
1568
15031517
15101515
15101518
15091519
15161526
15181529
15161533
15211532
15251538
15471552
15431554
15461553
15501559
15501574
15601573
15601575
15651578
15771581
15701587
15721587
15781597
15841594
15911596
15961601
15841609
15981613
16071621
Comment (c)
(h)
(d)
(d)
(d)
RETENTION INDICES
043101-25
Name
N (a)
c-Eudesmol
Cubenol
a-Acorenol
Caryophylla-4(12),8(13)-dien-5a-ol
Isospathulenol
a-Cadinol, epia-Muurolol
a-Muurolol, epib-Eudesmol
Intermedeol
a-Cadinol
Selin-11-en-4a-ol
a-Eudesmol
Himachalol
Patchouli alcohol
Bulnesol
Valeranone
Cadalene
Caryophyllenol II
b-Bisabolol
Tridecanoic acid
1-Tetradecanol
a-Bisabolol
b-Sinensal
Geranyl tiglate
a-Bisabolol, epiEudesma-4(15),7-dien-1b-ol
2-Pentadecanone
Farnesol, (2Z,6Z)Farnesol, (2E,6Z)Pentadecanal
Farnesol, (2Z,6E)Methyl tetradecanoate
Farnesol, (2E,6E)Chamazulene
a-Sinensal
Benzyl benzoate
Tetradecanoic acid
Nootkatone
Hexadecanal
Farnesyl acetate, (2E,6E)Hexahydrofarnesylacetone
Benzyl salicylate
Pentadecanoic acid
1-Hexadecanol
2-Heptadecanone
Farnesyl acetone, (5E,9E)
Hexadec-9-enoic acid, (Z)Isophytol
Hexadecanoic acid
Ethyl hexadecanoate
Manoyl oxide
Manool, 13-epiAbietatriene
54
75
8
8
5
146
86
110
114
10
171
13
68
1
8
15
10
30
1
25
7
15
78
19
10
18
6
29
9
12
6
24
55
33
14
11
10
76
51
19
32
29
15
22
18
22
35
19
69
5
13
11
90
40
18
6
17
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
1616.5
1619.9
1620.3
1623.9
1625.6
1626.4
1626.6
1631.2
1633.7
1636.1
1640.2
1641.1
1641.1
9.6
13.9
8.8
2.4
4.2
9.8
14.6
10.8
14.3
11.2
12.3
7.1
13.2
1618
1618
1621
1623
1626
1627
1626
1631.5
1535.5
1629.5
1641
1640
1643
16071625
16101632
16341647
16021630
16001644
16051630
16221628
16191630
16121642
16051650
16101650
16111655
16261653
16191662
16321656
16191668
1653.2
1653.3
1654.2
1654.9
14.1
4.8
14.6
10.6
1657.5
1652
1660
1654
16461662
16251667
16451664
16331668
16411673
1658.6
1659.1
1663.1
1668.4
1669.6
1673.7
1674.3
1675.8
1680.8
1681.6
1686.9
1691.3
1695.5
1704.7
1709.4
1709.6
1710.0
1727.5
1733.5
1753.3
1776.5
1778.0
1797.1
1818.1
1832.9
1837.2
1853.8
1861.6
1883.1
1909.4
1914.2
1935.2
1938.5
1955.4
1978.1
1990.4
2008.3
2032.8
9.4
9.4
10.9
9.9
4.6
7.0
12.9
5.0
6.2
7.5
7.1
2.0
6.6
10.9
4.0
14.7
5.8
6.3
19.3
14.3
16.8
4.6
9.1
5.4
10.8
14.5
11.0
8.1
5.8
4.1
3.1
5.0
11.6
13.6
4.1
6.9
6.2
13.3
1658
1660
1664
1668.5
1671
1675
1676.5
1676.5
1681
1680
1687
1692
1694
1704
1708
1709
1712
1726
1730
1750
1775
1778
1795
1816
1833
1835
1852
1862
1883
1909
1915
1936
1940
1953.5
1978
1991
2008
2034
16171633
16181638
16261637
16271643
16311647
Comment (c)
1648 (Ref. 49)
1655 (Ref. 50)

16531664
16631674
16781684
16921697
16991712
17071713
17221741
17431763
17771780
17941796
18241837
18441866
18561866
19071911
19431966
19771980
16441674
16451668
16471680
16491686
16581675
16591688
16511690
16701681
16711690
16741700
16781699
16881693
16901712
16831723
17051716
16931732
17001716
17201742
17061774
17321780
17461802
17701785
17841814
18101828
18171850
18151860
18401869
18511876
18711891
19021917
19111918
19291945
19201956
19371979
19691985
19772000
19992016
20132052
(i)
(i)
(i)
(i), 1708 (Ref. 51)
(d)
2006 (Ref. 45)
043101-26

Name
N (a)
Manool
1-Octadecanol
Abietadiene
Methyl linoleate
Methyl oleate
Phytol
Linoleic acid
Oleic acid
Ethyl linoleate
Octadecanoic acid
6
14
6
16
28
35
9
48
2
10
16
Average
value
Standard
deviation
Median
value
2047.5
2060.0
2061.8
2078.8
2081.3
2099.1
2105.0
2112.1
22.2
8.5
11.1
12.3
8.1
14.5
6.9
9.8
2047
2061
2064
2076
2080
2101
2107
2109
2150.5
2158.7
13.4
19.8
2143
50% RI
range
20762084
20912106
21072114
90% RI
range (b)
Comment (c)
20262087
20402070
20442073
20612100
20722100
20742121
20952113
21012132
20912113
21392177
21372193
21002105 (Ref. 40)
21402142 (Ref. 40)
Comments: (a) Number of data records. (b) Confidence interval estimates were based on the number of available data records. The range of available RI values
was used for compounds with less than 20 data-records instead of estimation of confidence intervals. (c) Retention indices7 are provided as linear retention
indices. Previous editions7 listed retention indices determined using logarithmic times. RI data40 were rounded to integer values. Shown RI data ranges correspond to RI measurements at two temperature programs.40 (d) Observed RI values were close for dimethylsilicone and 5% phenylmethylsilicone stationary
phases, or the retention index was higher for dimethylsilicone phase. (e) The correct identification of o-, m-, and p-cymenes presents certain difficulties. Inconsistencies in available literature retention data and elution order for these isomers were discussed by Collin et al.41 Note that most of the researchers registered
only one of the three isomers. The most frequently observed isomer is p-cymene. Data presented in Table 1 are largely based on the results of Collin et al.,41
and Romanenko et al.42 Note that the observed elution order is in agreement with the correlation between boiling points and elution order of isomers. It is
known that for isomers of the same homologous series the elution order on nonpolar stationary phases corresponds to the order of their boiling points. Thus the
first eluted isomer should be meta-, and the lastortho-isomer (m-cymene (448.3 K) < p-cymene (450.3 K) < o-cymene (451.3 K) (Ref. 43)). (f) Available literature data represent a mix of data for cis- and trans-isomers as a result of the use of different naming conventions. The name was provided in accord with
IUPAC nomenclature (OH vs. IPP). Data separation was performed based on the elution order. (g) Available data possibly represent a mix of RI values for different isomers. (h) Two (or more) separate data clusters or a large data spread were observed. (i) There are 4 isomers of farnesol. Most of the available RI
measurements (elution order) correspond to the data provided in the earlier editions of Adams.7 2007 edition contains the re-identification of these isomers.
The re-identification is consistent with the results,9297 where detailed analysis of farnesol isomers was conducted. We adopted these results for the reassignment of calculated retention indices.
TABLE 4. Retention indices of essential oil components for dimethylsilicone stationary phase with 5% phenyl groups
Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
2,3-Butanedione
Ethyl acetate
Acetic acid
Isobutanol
3-Methylbutanal
Butanal, 2-methyl1-Butanol
1-Penten-3-ol
Pentanal
2-Ethylfuran
Acetoin
3-Methyl-1-butanol
Butan-1-ol, 2-methyl1-Pentanol
2-Pentenol, (Z)2-Buten-1-ol, 3-methylEthyl butanoate
3-Hexenal, (Z)Hexanal
Butanoic acid
Furfural
3-Hexen-1-ol, (E)2-Hexenal, (E)-
112
82
76
56
172
121
48
41
105
48
73
125
81
101
14
30
131
53
343
81
124
55
187
596.6
611.2
622.3
630.5
651.6
660.2
660.2
690.1
700.3
704.6
713.7
737.5
740.8
765.5
771.2
774.6
799.0
799.5
799.9
808.3
834.6
852.8
853.0
11.1
11.3
26.2
12.8
11.5
12.9
10.1
15.4
11.2
8.1
12.6
10.7
8.8
7.1
5.8
8.1
8.7
5.7
7.7
19.6
11.1
8.8
9.2
595
612.5
610
628
652
662
660.5
685
699
703
714
736
740
765
769
776.5
802
800
800
815
834
852
854
590613
607615
601645
622637
649658
653668
653667.3
681689
696704
701707
711720
732741
734744
763768
581605
588628
591667
615655
629669
635680
644677
673722
683722
691719
697733
726758
730756
756779
767783
759788
778807
789807
782810
779840
814851
837863
837865
770779
798804
798801
799803
790821
830840
852857
851856
Comment (c)
(d)
650 (Ref. 7)
763 (Ref. 7)
844 (Ref. 7)
RETENTION INDICES
043101-27
TABLE 4. Retention indices of essential oil components for dimethylsilicone stationary phase with 5% phenyl groupsContinued
Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
Ethyl isovalerate
3-Hexen-1-ol, (Z)Isovaleric acid
Butanoic acid, 2-methylFurfuryl alcohol
2-Hexen-1-ol, (E)1-Hexanol
Isopentyl acetate
Styrene
2-Heptanone
2-Heptanol
Ethyl pentanoate
Heptanal
Santolina triene
Methional
2-Acetylfuran
2,4-Hexadienal-, (2E,4E)Tricyclene
Methyl hexanoate
a-Thujene
a-Pinene
a-Fenchene
Camphene
Thuja-2,4(10)-diene
2-Heptenal, (E)Benzaldehyde
Verbenene
Furfural, 5-methyl1-Heptanol
Dimethyl trisulfide
Sabinene
b-Pinene
1-Octen-3-one
1-Octen-3-ol
Phenol
3-Octanone
Myrcene
Dehydro-1,8-cineole
5-Hepten-2-ol, 6-methyl2-Pentylfuran
3-Octanol
Yomogi alcohol
Hexanoic acid
Ethyl hexanoate
Octanal
d-2-Carene
3-Hexenyl acetate, (Z)a-Phellandrene
Hexyl acetate
3-Carene
2,4-Heptadienal, (2E,4E)2-Hexen-1-ol, acetate, (E)1,4-Cineole
a-Terpinene
60
111
93
71
45
48
148
79
75
143
40
33
203
25
172
40
22
179
51
384
765
48
480
45
46
304
44
58
48
127
472
643
148
268
49
76
163
655
39
11
112
98
15
92
130
279
51
66
395
8
81
267
70
10
16
416
853.1
856.6
860.4
861.9
862.6
864.5
869.7
875.0
890.5
891.7
899.4
901.2
902.0
907.4
907.5
912.4
913.2
923.2
924.1
927.8
936.1
949.4
950.3
955.6
960.5
962.7
963.3
967.3
968.6
971.7
973.0
977.7
978.0
980.0
983.3
984.5
985.9
989.2
989.8
991.8
991.9
993.2
996.3
996.4
999.6
1002.8
1003.3
1004.0
1004.1
1008.5
1010.4
1011.3
1011.5
1011.5
1016.8
1017.1
6.6
7.2
19.9
17.8
10.6
10.6
7.9
7.1
13.2
4.6
8.6
2.6
5.5
4.5
6.2
9.1
5.1
7.0
7.9
6.8
8.0
6.5
7.0
3.8
8.3
10.4
9.5
9.9
11.2
10.3
7.0
7.1
5.2
8.1
7.8
6.4
5.7
6.2
9.1
7.7
5.7
6.7
3.8
20.5
4.0
6.5
7.3
7.7
6.8
5.6
6.4
6.4
7.4
9.7
5.9
7.3
854
857
868
863
863
862
868
876
893
891
900
901
901
908
907
910
912
925
925
930
937
951
952
957
959.5
962
967
965.5
970
970
975
979
979
980
981
986
986
991
991
993
993
993
998
993
1000
1003
1001
1005
1004
1006
1011
1011
1012
1017
1016
1017
851856
853860
841875
847875
853867
857869
866874
875878
880897
889893
898904
900902
899904
905909
904910
907917
909916
921927
922929
926931
933939
948953
948954
955958
956964
959967
953968
961973
968974
965979
971976
975980
976980
978983
978987
982988
984988
988992
988993
842864
844868
832889
836890
850881
852887
859885
860883
870915
884900
881909
898906
894913
900914
900920
902928
908924
906931
909934
910935
921944
939957
936959
947959
952978
947982
948976
953987
945980
954989
961981
964988
968986
967991
974997
971994
977995
980995
9711005
9791003
978999
9811005
9891000
9691026
9941005
9931012
9941020
9881016
9951013
10031018
9991020
10021025
9961019
9941020
10081033
10071026
990995
991995
9811018
9971002
10011005
10001004
9991007
10021006
10081015
10081013
10091017
10151019
Comment (c)
827 (Ref. 7); 858868 (Ref. 40)

832 (Ref. 7)
869 (Ref. 7)
947 (Ref. 7)
959 (Ref. 7)
1005 (Ref. 7)
043101-28

N (a)
Average
value
27
1022.0
p-Methyl anisole
p-Cymene
10
627
1023.8
1024.3
5.6
7.0
1024
1025
10221027
Limonene
b-Phellandrene
1-Hexanol, 2-ethyl1,8-Cineole
Benzyl alcohol
b-Ocimene, (Z)o-Cymene
Benzeneacetaldehyde
Salicylaldehyde
b-Ocimene, (E)c-Terpinene
2-Octenal, (E)Artemisia ketone
Sabinene hydrate, cis2-Octen-1-ol, (E)Acetophenone
1-Octanol
Furaneol
Linalool oxide, (furanoid), cisp-Cresol
Heptanoic acid
Artemisia alcohol
Linalool oxide, (furanoid), transTerpinolene
Fenchone
p-Cymenene
o-Guaiacol
2-Nonanone
Methyl benzoate
a-Pinene oxide
Sabinene hydrate, trans2-Nonanol
Perillene
Linalool
Nonanal
Thujone, cisHotrienol
1,3,8-p-Menthatriene
Rose oxide, cisMyrcenol
2,4-Octadienal-, (2E,4E)Thujone, trans2-Phenylethyl alcohol
Fenchol, endoPinene hydrate, transp-Menth-2-en-1-ol, cisa-Campholenal
Chrysanthenone
Isophorone
Tagetone, (E)-
753
222
50
444
118
328
85
281
11
420
575
93
19
205
14
80
163
77
142
72
21
25
123
476
40
90
89
104
60
22
118
8
15
716
436
33
87
12
26
36
27
7
16
88
208
50
16
106
138
26
21
7
1029.5
1030.0
1030.6
1031.8
1036.9
1037.8
1041.0
1045.9
1046.5
1047.7
1059.7
1060.2
1062.0
1066.5
1066.8
1067.4
1071.5
1072.3
1075.1
1077.4
1080.1
1083.1
1083.3
1086.9
1087.6
1087.9
1092.1
1092.5
1094.2
1097.0
1098.1
1098.6
1098.6
1099.0
1103.3
1103.6
1105.1
1106.8
1110.3
1111.7
1112.5
1113.1
1113.9
1114.5
1114.9
1115.1
1121.2
1123.1
1124.1
1124.5
1127.2
1127.3
6.9
9.6
7.1
6.9
8.0
6.7
1030
1030
1030
1032
1035
1038
10271032
10291033
10281034
10301034
10321041
10361040
1045
1041
1049
1060
1060
1062
1068
1069
1066
1071
1070
1074
1077
1078
1084
1087
1088
1087
1090
1090
1093
1094
1095
1097
1098
1100
1099
1104
1103
1102
1106.5
1111
1112
1112
1117
1115
1114
1116
1114
1121
1122
1125
1123.5
1122
1124
10421051
Name
m-Cymene
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
9971037
9.7
7.6
6.2
7.5
6.8
4.2
7.3
4.5
7.4
6.2
15.8
8.8
9.9
10.7
4.9
8.6
7.7
5.6
9.5
6.7
4.2
7.3
5.7
8.2
13.6
4.8
6.8
6.7
4.1
6.1
5.1
6.1
4.2
6.9
15.3
3.5
5.1
14.9
6.3
4.1
7.1
8.4
3.2
10.4
7.5
10461051
10571062
10571063
10651070
10631072
10681074
10611080
10711078
10741083
10721086
10831084
10741088
10861089
10871090
10871091
10871095
10911094
10911097
10951100
10961101
10971102
11021106
11031105
11021107
11101114
11101113
11101113
11141116
11101120
11121117
11211126
11241127
11231126
11181137
10181036
10111033
10191039
10111043
10161042
10211044
10261052
10281047
10011076
10321063
10401063
10381056
10491069
10461072
10501071
10521074
10591071
10561080
10631083
10511100
10611090
10581093
10671098
10721092
10701097
10741097
10781096
10661098
10861106
10831099
10801106
10901105
10841115
10761120
10831102
10881109
10931118
10941110
10991117
11011114
10971119
11071117
11031126
10911137
11101124
11061124
11001129
11101125
11141127
11151138
11061134
11201131
11171144
11201139
Comment (c)
(e); average of data
(Refs. 41 and 42)
1015 (Ref. 7)
(e); 1026 (Ref. 41);
1024 (Ref. 42)
(e); average of data (Refs. 41 and 42)
1049 (Ref. 7)
(f)
1049 (Ref. 7)
(d)
(f)
(d)
1102 (Ref. 7)
1139 (Ref. 7); 1128 (Ref. 52)
RETENTION INDICES
043101-29
Name
N (a)
Average
value
Standard
deviation
Median
value
p-Mentha-2,8-dien-1-ol, transMethyl octanoate

Rose oxide, transallo-Ocimene
p-Mentha-2,8-dien-1-ol, cisLimonene oxide, cisNopinone
Terpine-1-ol
p-Menth-2-en-1-ol, transLimonene oxide, transSabinol, transPinocarveol, transSabinol, cisCamphor
b-Terpineol, cisVerbenol, transVerbenol, cisPhenylacetonitrile
2-Nonenal, (Z)4-Ketoisophorone
Veratrole
Camphene hydrate
Tagetone, (Z)Menthone
Citronellal
2,6-Nonadienal, (2E,6Z)Nerol oxide
Sabina ketone
Isoborneol
Isomenthone
Pinocarvone
Pinocamphone, trans
2-Nonenal, (E)Chrysanthenol, cisMenthofuran
d-Terpineol
Benzyl acetate
Borneol
neo-Menthol
Lavandulol
Linalool oxide (pyranoid), transEthyl benzoate
Umbellulone
Pinocamphone, cis
1-Nonanol
Isopulegone, transTerpinen-4-ol
Limonen-4-ol
Menthol
1(7),8-p-Menthadien-2-ol, transOctanoic acid
Cryptone
p-Cymen-8-ol
3-Hexenyl butanoate, (Z)-
11
35
11
54
13
41
15
27
76
32
24
186
12
301
8
80
71
19
55
14
21
33
5
49
77
108
12
24
52
39
141
38
169
23
13
20
46
322
68
7
18
16
6
51
21
34
38
8
593
6
46
2
66
28
28
171
21
1127.5
1127.5
1128.4
1129.9
1131.4
1134.0
1135.5
1136.1
1136.7
1137.5
1139.2
1140.0
1142.4
1143.4
1143.9
1144.2
1144.4
1146.5
1146.8
1147.4
1148.1
1148.7
1149.4
1150.5
1153.7
1154.7
1154.7
1155.7
1158.2
1159.1
1160.6
1162.0
1162.2
1162.9
1164.2
1164.5
1165.6
1166.2
1166.6
1167.4
1167.6
1168.2
1171.0
1171.3
1171.4
1172.8
1173.4
1176.6
1177.1
1177.3
1177.3
1180.5
1182.0
1182.7
1183.6
1183.9
1184.7
6.9
4.9
9.4
4.1
9.1
6.2
5.3
5.6
11.6
6.9
3.1
11.5
2.9
7.9
5.2
2.8
8.5
8.7
3.8
9.1
4.6
3.8
4.1
14.2
5.8
4.5
8.0
4.5
7.9
16.2
6.4
6.3
6.2
2.2
9.1
5.7
6.3
7.9
7.2
5.1
13.7
6.3
5.3
6.5
5.6
4.7
5.8
15.6
9.0
7.6
8.6
1123
1126
1127
1130
1134
1134
1137
1136
1140
1138
1140
1139
1143
1144
1145
1144
1142
1144
1148
1142
1148
1148
1149
1154
1153
1155
1154
1156
1156.5
1164
1162
1160
1161
1162
1164
1166
1164
1166
1167
1166
1165
1168
1172
1171
1171
1173
1172
1176
1177
1176.5
1174
10.8
5.9
7.8
4.5
3.8
1180
1182.5
1184
1183
1186
50% RI
range
11251128
11281132
11311138
11341140
11381143
11341142
11391140
11361141
11421146
11431146
11401145
11461149
11461152
11481150
11441156
11521156
11521158
11541158
11551162
11501169
11601164
11591163
11581165
11621164
11631167
11621169
11641169
11641170
11701175
11691171
11721175
11711175
11751179
11721182
11761189
11801187
11781187
11831185
11841187
90% RI
range (b)
11221142
11211138
11151149
11241135
11191149
11221144
11201145
11271145
11121147
11261149
11341142
11241163
11371149
11271155
11321150
11391148
11341165
11351163
11421151
11391169
11401154
11441155
11441155
11251174
11441162
11481162
11461172
11471162
11461173
11321183
11441167
11551175
11541173
11601168
11421183
11531171
11601178
11521177
11551179
11611176
11431192
11551185
11621178
11601182
11651184
11621180
11671184
11551199
11651189
11671189
11691194
11761185
11641200
11741191
11721199
11781191
11781188
Comment (c)
1148 (Ref. 7); 1136 (Ref. 52)
1165 (Ref. 7)
1187 (Ref. 7)
043101-30

Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
Naphthalene
a-Terpineol
Hexyl butanoate
Myrtenal
p-Cresol, 2-methoxyMethyl salicylate
Myrtenol
Dihydrocarveol
Piperitol, cisMethyl chavicol
Ethyl octanoate
Dihydrocarvone, transPiperitol, transDecanal
Verbenone
Octanol acetate
iso-Dihydrocarveol
Cinnamaldehyde, cis2,4-Nonadienal, (2E,4E)Carveol, transb-Cyclocitral
Sabinene hydrate acetate, cisFenchyl acetate, endoBornyl formate
Carveol, cisCitronellol
Nerol
1(7),8-p-Menthadien-2-ol, cisThymol, methyl ether
Pulegone
Cumin aldehyde
Carvone
Neral
Carvotanacetone
p-Anisaldehyde
Sabinene hydrate acetate, transPiperitone
Chavicol
Geraniol
Linalool acetate
Chrysanthenyl acetate, cis2-Decenal, (E)Geranial
Cinnamaldehyde, trans1-Decanol
Perilla aldehyde
Phellandral
Nonanoic acid
Citronellyl formate
Guaiacol, 4-ethylp-Anisyl alcohol
Bornyl acetate
Neryl formate
106
624
29
115
19
95
159
18
52
69
94
38
69
301
132
46
11
6
88
156
46
12
21
8
75
129
125
2
85
64
21
94
181
116
47
10
35
14
91
11
247
117
61
33
91
142
20
32
37
13
46
6
9
31
12
259
3
1186.2
1189.7
1191.5
1192.0
1192.9
1192.9
1194.1
1194.5
1194.7
1195.8
1196.2
1201.4
1205.3
1205.4
1206.2
1209.3
1213.4
1215.2
1215.8
1217.1
1218.3
1218.7
1219.7
1222.6
1226.7
1228.1
1228.9
1233.0
1234.3
1234.3
1236.3
1237.9
1242.0
1242.1
1243.0
1245.3
1251.8
1253.4
1253.6
1253.9
1254.9
1255.2
1258.8
1261.8
1263.4
1270.3
1271.3
1272.1
1273.4
1274.9
1275.3
1276.7
1278.6
1280.2
1282.3
1283.5
1285.0
12.4
9.4
4.0
9.8
5.7
6.3
9.3
7.8
8.3
5.2
5.9
4.7
6.8
7.6
11.4
6.3
9.5
7.6
7.4
8.0
6.9
7.3
5.4
7.7
7.6
6.0
9.5
1183
1189
1191
1193
1192
1192
1194
1183
1195
1196
1196
1200
1207
1205
1205
1210.5
1213
11791192
11881192
11911194
11901196
1216
1217
1219.5
1220
1220
1223
1229
1228
1228
12111219
12161219
12161223
3.9
12.1
4.3
9.2
11.2
9.6
4.3
6.4
8.9
7.7
6.7
5.3
9.0
8.9
7.1
3.3
5.4
9.8
8.1
6.8
10.7
10.1
9.9
3.9
16.8
7.4
7.5
11.1
20.1
1235
1237
1235
1239
1242
1240
1244
1246
1251
1252
1252
1254
1255
1257
1258
1262
1263
1270
1270
1272
1271
1273
1275
1276
1279
1282
1279
1285
12331236
12321239
12341237
12351242
12401245
12371244
12431245
11701211
11781203
11841198
11711206
11811207
11841208
11771206
11811208
11801211
11841204
11901205
11961211
11921214
11951217
11901224
11961219
11961227
12001219
12041230
12031231
12051225
12131229
12101223
12061232
12141239
12151237
12161250
12311235
12291240
12101253
12331243
12201253
12271265
12311269
12341247
12301256
12391266
12431272
12451266
12481265
12381269
12381268
12451269
12551267
12551276
12521291
12641287
12631286
12571292
12551298
12601293
12711282
12481296
12661288
12731295
12641297
12681307
11901194
11931197
11931196
11951198
11941200
11991202
12051208
12041208
12041208
12081213
12201221
12221230
12261231
12261230
12471255
12511255
12531258
12511259
12561260
12611263
12601266
12671273
12671274
12691274
12701277
12671280
12761286
12821288
Comment (c)
1192 (Ref. 7)
1267 (Ref. 7)
RETENTION INDICES
043101-31
Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
Anethole, (E)Isobornyl acetate

Safrole
p-Cymen-7-ol
Lavandulyl acetate
Thymol
2-Undecanone
Menthyl acetate
2,4-Decadienal, (2E,4Z)Perilla alcohol
Indole
Carvacrol
Geranyl formate
Undecanal
Nonyl acetate
Guaiacol, p-vinyl2,4-Decadienal, (2E,4E)Methyl geranate
Methyl decanoate
Myrtenyl acetate
Bicycloelemene
Linalool propanoate
Carvyl acetate, transd-Elemene
Piperitenone
a-Terpinyl acetate
a-Cubebene
a-Longipinene
Citronellyl acetate
Thymol acetate
Eugenol
Carvyl acetate, cisNeryl acetate
c-Nonalactone
2-Undecenal, (E)Piperitenone oxide
Cyclosativene
a-Ylangene
Carvacrol acetate
1-Undecanol
Methyl cinnamate, transDecanoic acid
a-Copaene
Longicyclene
Geranyl acetate
Daucene
4,5-Epoxy-2-decenal, (E)a-Isocomene
b-Bourbonene
b-Damascenone, (E)b-Cubebene
b-Elemene
Jasmone, (Z)Ethyl decanoate
Isoitalicene
50
73
40
46
29
225
111
13
64
27
58
223
10
13
107
16
81
184
23
32
12
14
4
23
150
22
133
256
38
82
26
240
14
117
54
46
13
66
5
114
14
21
17
66
524
18
156
8
59
6
281
158
183
368
37
50
3
1285.2
1285.9
1286.7
1287.7
1289.2
1290.1
1293.1
1295.8
1296.3
1296.3
1298.4
1300.4
1302.1
1303.1
1306.5
1309.2
1317.4
1317.6
1323.1
1325.5
1328.6
1333.3
1336.0
1336.6
1337.0
1340.7
1347.0
1351.4
1352.1
1352.4
1356.4
1357.8
1362.0
1362.9
1363.5
1364.6
1366.5
1368.2
1369.2
1369.9
1373.1
1373.6
1375.4
1375.5
1376.2
1376.9
1379.9
1380.6
1380.9
1382.7
1384.2
1385.5
1386.6
1390.4
1394.6
1395.0
1396.7
8.0
8.5
3.7
8.1
6.0
11.2
6.7
7.8
7.7
8.5
12.3
7.3
15.2
7.4
7.6
5.9
8.2
9.7
4.6
1.7
5.2
7.9
3.6
4.1
5.8
5.7
9.4
10.8
8.4
6.4
4.4
8.7
3.3
8.9
11.3
8.2
3.1
5.5
4.3
7.1
6.5
7.5
9.5
11.3
9.2
8.1
8.6
2.1
4.6
9.8
10.0
7.9
8.1
9.0
8.4
5.7
1.5
1284
1286
1287
1287
1289
1291
1294
1294
1295
1295
1295
1299
1300
1301
1307
1308
1316
1317
1323
1326
1327
1335.5
12831287
12841288
12851288
12861291
12881291
12901293
12911296
1337
1338
1343
1350
1351
1352.5
1354
1355
1357
1362
1364
1363
1365
1366
1368
1370
1372
1371.5
1371
1379
1373
1376
1374.5
1382
1380
1381
1386.5
1384
1386
1389
1391
1394
1396
1397
13371339
13351340
13391344
13441351
13481352
13481357
13501355
13531358
13551360
12731303
12711302
12801294
12711298
12791300
12721304
12811303
12781310
12871310
12801309
12851329
12911314
12811328
12921322
12951319
13021325
13081334
13051334
13161331
13231329
13221337
13161346
13331340
13281342
13271344
13291347
13291358
13401373
13371362
13371358
13501364
13451375
13521366
13451378
13441380
13511379
13631373
13601380
13651375
13511377
13641391
13661387
13521386
13671399
13631391
13701394
13581388
13781384
13741390
13651392
13661398
13701397
13701393
13741402
13771404
13831403
13951398
12911298
12941302
12891303
12981302
13051310
13121321
13141321
13221325
13241327
13601366
13591370
13611370
13641370
13681373
13701378
13691381
13741378
13721378
13791384
13791384
13821387
13811390
13871390
13881393
13941399
13941398
Comment (c)
1309 (Ref. 7)
13381339 (Ref. 40)
(d)
(d)
1357 (Ref. 7)
(d)
1357 (Ref. 7)
(d)
1374 (Ref. 40)
1364 (Ref. 7)
(d)
043101-32

Name
N (a)
Cyperene
Methyl eugenol
Italicene
Vanillin
Caryophyllene, (Z)Longifolene
Decyl acetate
Dodecanal
a-Gurjunene
a-Cedrene
a-Bergamotene, cisCaryophyllene, (E)2,5-Dimethoxy-p-cymene
b-Ylangene
a-Santalene
b-Cedrene
a-Ionone, (E)b-Gurjunene
Thujopsene, cisb-Copaene
a-Bergamotene, transc-Elemene
a-Guaiene
Aromadendrene
b-Humulene
a-Himachalene
b-Farnesene, cisGeranylacetone
Neryl propanoate
a-Humulene
b-Farnesene, (E)a-Patchoulene
b-Santalene
Alloaromadendrene
Muurola-4 (14),5-diene, cisb-Acoradiene
2-Dodecenal, (E)c-Decalactone
c-Gurjunene
1-Dodecanol
Undecanoic acid
c-Himachalene
c-Muurolene
Geranyl propanoate
b-Chamigrene
c-Curcumene
Germacrene D
Ar-Curcumene
a-Amorphene
b-Ionone, (E)b-Selinene
b-guaiene, cisCubebol, epiPhenylethyl 3-methylbutanoate
a-Farnesene, (Z,E)Valencene
Viridiflorene
28
119
16
94
53
66
25
94
143
70
50
741
10
11
20
47
37
179
34
53
141
112
88
222
14
27
75
101
3
573
237
12
23
266
42
25
15
40
68
37
5
22
292
9
39
46
516
119
45
143
256
54
33
13
22
121
85
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
1397.8
1401.8
1401.9
1404.7
1406.5
1406.8
1407.1
1408.1
1408.6
1412.2
1414.5
1420.1
1421.4
1421.7
1421.8
1422.4
1425.6
1431.2
1432.0
1433.1
1434.5
1436.4
1439.6
1440.6
1442.5
1445.1
1445.9
1451.8
5.4
7.4
3.2
11.9
8.9
12.6
7.1
6.6
9.4
10.2
8.7
10.4
3.2
1.4
9.0
6.6
8.7
13.5
8.8
7.3
8.4
19.6
8.8
13.0
6.9
7.6
6.7
7.9
1399
1402
1402
1403
1405
1404.5
1408
1408
1409
1410
1415
1419
13971400
14001406
14001404
13971410
14041409
14001413
14061410
14051412
14071411
14081415
14091416
14171422
1453.1
1455.9
1457.2
1458.5
1459.9
1463.6
1465.5
1468.4
1470.6
1472.2
1472.8
1474.4
1475.9
1476.2
1476.8
1478.9
1480.3
1480.6
1482.2
1482.4
1485.9
1486.1
1488.8
1488.9
1490.5
1490.9
1491.7
1492.2
10.3
7.9
4.9
9.9
10.0
8.7
9.6
9.1
14.1
8.2
7.9
11.1
7.5
8.9
3.6
8.1
4.5
8.8
7.6
12.1
7.3
8.7
7.4
11.4
4.1
3.9
8.8
8.9
1454
1457
1457
1461
1461
1462
1466
1468
1470
1473
1473
14501456
14541459
1476
1477
14741479
14741479
1476
1480
1480
1483
1483
1485
1486
1490
1493
1490
1491
1492
1493
14751481
14781483
14791484
14791485
14741485
14841490
14841490
14871492
14891494
13861406
13941410
13971407
13901430
13921426
13871434
13921418
13971420
13941421
13971435
14031433
14051440
14151425
14201425
14131441
14151434
14031435
14081459
14241450
14261449
14161444
14101486
14241454
14191465
14361456
14281453
14381460
14351461
14301452
14351470
14391467
14501464
14431474
14431477
14481478
14471478
14521483
14441495
14551485
14591487
14651490
14681483
14611487
14731485
14711496
14741488
14641493
14681494
14661506
14701498
14731496
14761500
14601498
14821499
14861497
14771507
14761505
1421
1420
1421
1426
1432
1429
1432
1436
1433
1440
1439
1439.4
1448
1444
1453
14171422
14181424
14261430
14281433
14261434
14301433
14321438
14301437
14381443
14371443
14441450
14421448
14511455
14521464
14581463
14601467
14631471
14661475
14701475
14701476
14881493
14891495
14891496
Comment (c)
(d)
(d)
1393 (Ref. 7)
(d)
(d)
(d)
(d)
(d)
(d)
(d)
(d)
1452 (Ref. 7); 1451 (Ref. 52)
RETENTION INDICES
043101-33
Name
N (a)
a-Selinene
Bicyclogermacrene
a-Zingiberene
d-Decalactone
a-Muurolene
b-Guaiene, trans2-Tridecanone
b-Himachalene
Germacrene A
a-Bisabolene, (Z)a-Farnesene, (E,E)a-Bulnesene
Cuparene
b-Bisabolene
Tridecanal
c-Bisabolene, (Z)b-Curcumene
c-Cadinene
Cubebol
a-Selinene, 7-epiMyristicin
Calamenene, cisd-Cadinene
b-Sesquiphellandrene
Eugenol acetate
Calamenene, transCitronellyl butanoate
c-Bisabolene, (E)a-Cadinene
a-Calacorene
a-Bisabolene, (E)Selina-3,7(11)-diene
Sesquisabinene hydrate, cisNerolidol, (Z)Elemol
b-Elemol
Germacrene B
Elemicin
b-Calacorene
Nerolidol, (E)Geranyl butanoate
Palustrol
Ledol
Dodecanoic acid
3-Hexenyl benzoate, (Z)Germacrene-D-4-ol
Spathulenol
Dendrolasin
b-Copaen-4a-ol
Caryophyllene oxide
Hexyl benzoate
Globulol
Gleenol
Sesquisabinene hydrate, trans-
136
302
60
57
304
29
31
30
79
21
217
39
23
243
35
25
24
349
8
46
35
28
95
551
79
9
42
10
95
37
130
160
8
28
14
39
117
1
177
35
48
232
16
4
66
21
64
42
81
607
10
19
498
11
151
8
7
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
1493.4
1494.1
1495.3
1498.0
1498.3
1499.2
1499.4
1501.0
1502.1
1503.1
1504.1
1504.1
1506.6
1508.4
1511.6
1511.6
1512.9
1513.1
1514.4
1514.9
1517.2
1518.4
1522.9
1523.2
1523.5
1523.7
1528.3
1528.6
1531.0
1532.9
1533.3
1540.3
1540.3
1540.5
1541.1
1543.6
1547.5
9.7
8.7
6.7
12.9
9.1
8.8
12.2
9.1
7.4
4.6
12.3
7.6
8.1
9.0
6.1
6.4
3.7
10.8
2.1
6.9
4.9
7.7
8.9
10.1
5.5
4.4
7.1
5.6
6.6
4.8
10.9
8.6
5.7
4.8
10.2
14.8
7.7
1494
1495
1495
1496
1499
1500
1497
1499
1504
1504
1508
1505
1505
1509
1511
1515
1512.5
1513
1514
1515
1517
1519
1521
1524
1524
1524
1529
1530
1532
1533
1537
1542
1541
1542
1542.5
1535
1549
14901497
14921498
14931497
14921505
14971501
14991503
14941503
14971503
15011506
15021505
15031510
15031508
15021512
15061510
15061515
15071515
15111516
15111515
14771510
14771503
14851509
14731520
14801509
14781511
14831524
14911523
14861510
14951509
14721516
14901516
14981523
14941525
15031524
15021518
15061517
14981531
15111518
15031529
15091525
15031528
15111541
15081539
15121530
15141531
15151536
15131532
15151542
15261540
15031541
15221549
15301547
15311546
15241562
15271567
15341557
1550.9
1553.6
1559.4
1560.9
1562.6
1566.8
1566.8
1568.6
1569.2
1569.5
1574.2
1576.4
1576.5
1580.2
1580.6
1581.8
1581.8
1582.8
1583.4
18.9
6.6
8.3
9.1
3.8
4.2
14.3
5.9
9.1
8.8
6.6
9.8
4.8
10.3
9.8
7.6
7.4
6.2
8.5
1556
1554
1563
1564
1562.5
1567.5
1565
1568
1568
1570
1574
1576
1574
1585
1581
1579
1583
1585
1581
15521560
15521559
15551564
15601565
15131517
15151519
15151523
15191526
15201525
15231526
15281532
15301533
15311535
15341538
15391545
15391544
15341558
15461550
Comment (c)
(d)
1528 (Ref. 7); 1540 (Ref. 53)
1521 (Ref. 7); 1529 (Ref. 53)

1495 (Ref. 7)
1547 (Ref. 54)
15621570
15661573
15671572
15731576
15741578
15781583
15791585
14991568
15421562
15421566
15391570
15541570
15611571
15491599
15561573
15571587
15521588
15601582
15621590
15711585
15561594
15631595
15741596
15681592
15721589
15711598
(d); 1602 (Ref. 7); 1569 (Ref. 53)
043101-34

Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
Globulol, epib-Phenylethyl tiglate

Viridiflorol
Longiborneol
Ethyl dodecanoate
Salvial-4(14)-en-1-one
Carotol
Guaiol
Geranyl isovalerate
Cedrol
a-Humulene oxide
b-Oplopenone
Humulene epoxide II
Tetradecanal
Cubenol, 1,10-di-epic-Eudesmol, 10-epiDill apiole
1-Cubenol, epia-Acorenol
c-Eudesmol
Isospathulenol
Cubenol
a-Cadinol, epiCaryophylla-4(12),8(13)-dien-5a-ol
a-Muurolol, epia-Muurolol
Himachalol
b-Eudesmol
a-Eudesmol
a-Cadinol
Selin-11-en-4a-ol
Caryophyllenol II
Patchouli alcohol
Bulnesol
Intermedeol
Tridecanoic acid
Cadalene
Valeranone
b-Bisabolol
1-Tetradecanol
a-Bisabolol
a-Bisabolol, epiEudesma-4(15),7-dien-1b-ol
b-Sinensal
Farnesol, (2Z,6Z)2-Pentadecanone
Geranyl tiglate
Farnesol, (2E,6Z)Pentadecanal
Farnesol, (2Z,6E)Methyl tetradecanoate
Chamazulene
Farnesol, (2E,6E)a-Sinensal
Benzyl benzoate
Tetradecanoic acid
22
8
144
9
39
24
14
79
7
47
6
33
133
66
60
44
26
110
16
95
21
99
197
6
164
175
11
163
90
297
39
6
5
31
5
6
58
20
46
24
112
37
18
20
14
21
26
5
23
49
53
34
18
19
15
79
79
1584.8
1590.0
1590.8
1591.7
1593.3
1593.4
1595.3
1597.1
1599.3
1600.1
1601.5
1604.0
1604.7
1612.3
1612.3
1618.7
1621.7
1625.5
1630.0
1630.9
1633.5
1636.5
1637.8
1640.3
1640.8
1642.9
1649.4
1650.1
1651.7
1651.9
1654.9
1659.7
1659.8
1665.7
1666.2
1668.9
1671.3
1671.8
1672.0
1676.3
1682.8
1685.3
1688.0
1692.3
1694.0
1694.4
1699.1
1700.8
1713.6
1714.4
1722.5
1723.3
1726.7
1743.5
1753.5
1761.3
1767.3
10.6
6.1
9.1
4.3
5.3
4.2
3.3
8.4
11.0
10.0
2.7
7.2
6.7
5.1
8.7
4.7
8.6
7.1
3.1
6.2
7.0
11.5
7.7
9.3
9.6
10.7
10.1
8.7
9.6
9.5
4.1
18.3
4.3
5.3
8.2
8.1
8.4
2.7
5.5
5.1
9.0
4.3
2.6
6.9
10.9
7.4
9.1
4.0
6.0
7.4
5.6
7.6
10.1
3.4
6.7
13.3
9.4
1585
1588.5
1590
1592
1595
1595
1594
1596
1604
1597
1601.5
1606
1606
1611
1614
1619
1622
1627
1630
1631
1637
1642
1640
1640
1642
1645
1647
1649
1652
1653
1653
15801588
15641608
15841600
15691604
15831599
15801598
15871599
15911603
15851615
15821613
15871616
15981605
15891611
15921610
16051623
15911623
16121625
16081634
16111631
16211634
16231643
16211641
16121647
16241648
16271656
16231654
16201656
16351675
16371664
16331666
16351664
16491660
16331676
16531664
16551672
16541677
16621680
16521680
16671676
16621684
16681686
16651698
16791691
16851694
16811700
16691707
16781700
16851716
16951705
17021722
17031728
17151732
17061733
17081749
17361750
17411765
17351785
17491782
1660
1666
1667
1674
1672
1671
1676
1684
1686
1688
1692
1695
1697
1698
1700
1713
1714
1722
1725
1725
1743
1752
1762
1796
15891594
15911597
15891595
15941600
15961603
16011608
16041608
16091615
16111616
16171621
16201625
16251629
16291632
16301639
16301643
16351641
16401644
16421646
16471652
16501655
16511655
16521660
16661668
16711675
16701672
16701673
16731680
16811686
16841688
16881700
16951698
16961703
17121718
17121717
17211724
17221727
17591766
17631771
Comment (c)
(d)
(d)
(g); 1698 (Ref. 7); 1718 (Ref. 53)
(g); 1714 (Ref. 7); 1746 (Ref. 53)

(g); 1722 (Ref. 7); 1701 (Ref. 53)
(g); 1742 (Ref. 7); 1725 (Ref. 53)
RETENTION INDICES
043101-35
Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
Nootkatone
Hexadecanal
Farnesyl acetate, (2E,6E)Hexahydrofarnesylacetone
Benzyl salicylate
Pentadecanoic acid
1-Hexadecanol
2-Heptadecanone
Isophytol
Hexadec-9-enoic acid, (Z)Hexadecanoic acid
Ethyl hexadecanoate
Manoyl oxide
Manool, 13-epiAbietatriene
Manool
Abietadiene
1-Octadecanol
Methyl linoleate
Methyl oleate
Phytol
Linoleic acid
Oleic acid
Ethyl linoleate
Octadecanoic acid
26
27
41
18
93
14
33
49
13
4
83
40
6
145
41
48
24
29
32
21
26
31
14
40
46
29
22
14
33
1793.9
1813.4
1816.5
1842.3
1844.4
1867.4
1867.8
1879.7
1903.4
1919.5
1924.2
1946.8
1951.1
1968.4
1991.5
1993.1
2010.2
2054.3
2057.3
2080.5
2082.8
2091.1
2096.1
2116.4
2126.7
2128.9
2133.2
2158.8
2172.4
3.4
17.9
8.1
3.5
7.5
8.4
9.1
5.7
6.8
1.3
6.4
4.2
8.0
14.3
9.3
9.2
5.7
3.4
6.5
8.7
3.5
6.4
8.4
10.2
9.1
20.3
20.5
7.8
8.7
1793.5
1814
1817
1843
1845
1863
1868
1880
1902
17931795
17991828
18111820
1926
1948
1953
1968
1993
1991
2010.5
2054
2056
2080
2082
2092
2097
2114
2128
2130
2137
2159
2172
19221927
19431949
17901798
17831837
18071830
18361850
18311855
18571881
18541883
18701892
18921915
19181921
19101931
19391951
19361958
19391996
19752000
19782010
19992017
20512058
20492069
20642088
20782090
20792099
20822109
21042136
21102139
20972158
21022161
21442177
21592184
18431847
18631872
18761882
19621973
19901996
19891998
20102013
20542057
20552057
20802082
20802084
20892095
21102122
21252133
21142144
21152147
21672178
Comment (c)
1959 (Ref. 7)
(d)
2087 (Ref. 7)
1942 (Ref. 7)
Comments: (a) Number of data records. (b) See (b) in Table 3. (c) See (c) in Table 3. (d) Observed RI values were close for dimethylsilicone and 5%phenylmethylsilicone stationary phases, or the retention index was higher for dimethylsilicone phase. (e) See (e) in Table 3. (f) See (f) in Table 3. (g) See (i) in Table 3.
TABLE 5. Retention indices of essential oil components for polar phase
Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
Ethyl acetate
Butanal, 2-methyl3-Methylbutanal
2-Ethylfuran
Pentanal
2,3-Butanedione
Tricyclene
a-Pinene
a-Thujene
Ethyl butanoate
Santolina triene
a-Fenchene
Ethyl isovalerate
Camphene
Hexanal
Isobutanol
b-Pinene
Isopentyl acetate
192
97
152
42
108
199
65
488
206
208
7
59
89
311
464
222
436
140
886.4
915.5
921.5
953.2
975.3
977.6
1012.4
1025.4
1026.6
1035.7
1036.1
1061.0
1066.9
1068.5
1082.0
1089.3
1110.0
1121.4
14.3
14.1
11.9
9.2
20.3
15.1
8.1
10.4
9.3
12.4
16.9
12.5
11.5
13.2
15.5
16.7
13.3
10.6
889
915
920
951.5
979
980
1014
1026
1027
1035
1042
1060
1068
1069
1083
1091
1111.5
1121
879896
907922
913929
945960
967986
968986
10071015
10181032
10201035
10271043
858908
894943
906943
941965
9351003
9541000
9981029
10081039
10121039
10191057
10111063
10441084
10471084
10431086
10561106
10571113
10851130
11021140
10531070
10601074
10601076
10751091
10811099
11021118
11141129
Comment (c)
043101-36

TABLE 5. Retention indices of essential oil components for polar phaseContinued
Name
N (a)
Average
value
Standard
deviation
Median
value
50% RI
range
Thuja-2,4(10)-diene
Sabinene
Verbenene
d-2-Carene
Ethyl pentanoate
3-Hexenal, (Z)1-Butanol
3-Carene
1-Penten-3-ol
Myrcene
a-Phellandrene
a-Terpinene
2-Heptanone
Methyl hexanoate
Heptanal
1,4-Cineole
Dehydro-1,8-cineole
Limonene
Butan-1-ol, 2-methyl3-Methyl-1-butanol
b-Phellandrene
1,8-Cineole
2-Hexenal, (E)2-Pentylfuran
Ethyl hexanoate
b-Ocimene, (Z)c-Terpinene
1-Pentanol
b-Ocimene, (E)3-Octanone
Styrene
p-Cymene
5
340
9
13
57
68
231
171
120
491
240
300
150
63
208
22
12
14
640
102
302
249
307
231
131
223
248
381
235
310
84
87
461
1122.0
1122.0
1123.8
1133.9
1136.1
1139.1
1139.6
1146.8
1157.7
1160.9
1167.7
1177.8
1182.3
1184.6
1185.1
1186.3
1186.4
1192.5
1198.2
1205.8
1206.9
1209.3
1211.1
1216.3
1232.1
1233.4
1234.5
1245.0
1247.1
1250.4
1254.8
1261.5
1270.1
11.6
13.3
5.2
12.4
11.8
12.2
16.9
17.4
15.6
11.2
12.5
14.9
13.2
9.3
13.2
12.9
12.7
7.8
13.4
11.8
16.6
15.1
14.6
12.2
11.6
12.8
12.4
13.6
15.7
12.7
15.7
14.9
12.9
1117
1124
1123
1137
1134
1138.5
1140
1147
1158
1161
1167
1180
1183
1184
1186
1185
1187
1195
1200
1208
1209
1210
1212
1215
1232
1232
1235
1246
1250
1250
1254.5
1262
1272
Hexyl acetate
m-Cymene
151
19
1273.5
1277.0
13.2
1272
Acetoin
Terpinolene
Octanal
1-Octen-3-one
o-Cymene
2-Heptanol
2-Pentenol, (Z)3-Hexenyl acetate, (Z)2-Buten-1-ol, 3-methyl2-Heptenal, (E)2-Hexen-1-ol, acetate, (E)6-Methyl-5-hepten-2-one
Artemisia ketone
Rose oxide, cis1-Hexanol
a-Pinene oxide
198
369
319
28
178
18
75
63
111
38
72
37
179
12
31
294
8
1282.2
1282.4
1287.2
1293.8
1301.0
19.9
11.6
13.3
11.4
12.5
1282
1283
1289
1292.5
1300
12701294
12771290
12781296
12851304
12931309
1315.3
1315.7
1315.9
1316.1
1321.6
1332.2
1336.9
1344.7
1350.1
1351.4
1363.9
16.8
12.1
9.4
17.5
15.1
10.3
12.5
11.9
12.1
17.0
19.9
1320
1317
1315
1320
1321
1333
1338
1348
1350
1354
13041326
13101324
13101321
13101328
13141335
13231338
13291346
allo-Ocimene
Rose oxide, trans3-Hexen-1-ol, (E)-
19
13
171
1366.5
1367.3
1372.8
16.5
12.1
17.0
1367
1367
1371
11151132
11271141
11321147
11271150
11401152
11471166
11551169
11601176
11701188
11731191
11771191
11771194
11771197
11901204
12001212
11981217
12021218
12031220
12081224
12241241
12241241
12281246
12381255
12381256
12441257
12441265
12511270
12641280
12651280
13381358
13441360
13641385
90% RI
range (b)
11091137
10981140
11181131
11101150
11211161
11181160
11131167
11221169
11301179
11401175
11481186
11541195
11601205
11721202
11631208
11691212
11651199
11671197
11781219
11821223
11791236
11881233
11861231
11961238
12131249
12161258
12111251
12221266
12171271
12321267
12301280
12401290
12461291
12541298
12441279
12501314
12611300
12671312
12781312
12801324
12481310
12841335
12961334
13011335
12801338
12891339
13151348
13171357
13201358
13311369
13161377
13311384
13341394
13411386
13441399
Comment (c)
(d)
(e); 1279 (Ref. 41); 1280 (Ref. 55);

1266 (Ref. 6)
(e); average of data
(Refs. 41 and 55); 1264 (Ref. 6)
(e); 1310 (Ref. 41); 1298 (Ref. 56)

1323 (Ref. 6)
(d); 1384 (Ref. 57);

13541371 (Ref. 40)
(f); 1394 (Ref. 58)
RETENTION INDICES
043101-37
Name
N (a)
Dimethyl trisulfide
3-Hexen-1-ol, (Z)a-Isocomene
Methyl octanoate
2-Nonanone
Nonanal
3-Octanol
Yomogi alcohol
Fenchone
2-Hexen-1-ol, (E)2,4-Hexadienal-, (2E,4E)1,3,8-p-Menthatriene
Hexyl butanoate
Thujone, cisPerillene
2-Octenal, (E)p-Methyl anisole
Ethyl octanoate
p-Cymenene
Thujone, trans1-Octen-3-ol
Linalool oxide, (furanoid), cisAcetic acid
1-Heptanol
Limonene oxide, cisLinalool oxide, (furanoid), transMethional
3-Hexenyl butanoate, (Z)Sabinene hydrate, cisa-Cubebene
Furfural
Limonene oxide, trans5-Hepten-2-ol, 6-methylMenthone
Nerol oxide
d-Elemene
a-Longipinene
Octanol acetate
Citronellal
Fenchyl acetate, endoMenthofuran
Cyclosativene
Isomenthone
a-Ylangene
Bicycloelemene
1-Hexanol, 2-ethylLongicyclene
Isoitalicene
2,4-Heptadienal, (2E,4E)a-Copaene
Daucene
Decanal
a-Campholenal
2-Acetylfuran
Tagetone, (E)-
139
8
251
10
50
106
377
94
11
31
125
27
16
50
47
18
16
122
9
172
69
41
273
155
314
110
39
157
187
30
111
161
213
38
24
40
27
77
12
57
87
2
9
17
20
59
38
117
5
6
107
326
5
227
64
110
3
Average
value
Standard
deviation
1376.2
1379.7
1380.2
1388.1
1388.8
1391.3
1391.5
1391.9
1395.1
1399.5
1399.9
1401.7
1411.0
1414.1
1423.1
1425.3
1428.1
1429.5
1431.7
1434.9
1437.5
1439.6
1444.2
1446.0
1446.1
1448.8
1450.5
1454.3
1456.1
1456.1
1460.2
1460.4
1460.9
1461.6
1463.8
1465.3
1468.6
1468.8
16.7
11.2
15.3
7.9
11.2
11.7
12.5
11.8
10.8
10.9
14.5
18.7
24.5
12.9
16.6
8.3
8.4
14.6
12.7
12.3
15.3
16.1
17.3
22.3
20.5
14.6
11.0
15.1
16.2
10.6
15.1
12.8
16.1
12.1
10.8
14.4
12.3
10.6
1474.6
1475.3
1482.4
1483.2
1483.8
1484.1
1487.5
1487.9
1489.4
1490.5
1491.0
1491.0
1495.2
1495.9
1496.0
1498.8
Median
value
50% RI
range
90% RI
range (b)
1377
13651386
1382
1388
1386.5
1391
1391
1393
1403
1397
1404
1400
1408
1414
1429
1429
1432
1429.5
1432
1434.5
1437
1442
1450
1445
1449
1452
1453
1451
1453
1455
1463
1463
1461
1465.5
1466
1473.5
1467
1470
13701390
14281441
14291452
14361451
14371454
14271465
14331460
14401460
14431458
14461464
14481465
14481463
14561469
14551468
14501471
14541468
14611468
14501475
14611477
14641479
10.9
14.5
1475
1477
14671483
14651487
15.1
9.1
16.6
14.7
7.7
16.5
8.6
8.2
18.1
17.1
8.8
15.3
10.3
16.6
1487
1485
1481.5
1490
1485.5
1491
1494
1491
1494
1492
1495
1497
1499
1499
13471406
13651402
13511405
13771405
13751410
13741415
13701414
13721408
13771405
13861418
13771419
13711438
13751453
13951433
13851441
14051431
14151438
14071463
14091446
14161458
14121457
14001452
14111465
14101478
14081479
14191467
14291466
14291481
14301484
14441473
14251478
14381480
14321490
14391481
14461478
14431479
14501487
14471481
14621541
14591491
14571495
14561480
14581502
14451549
14641506
14591500
14711495
14521513
14801497
14751498
14551514
14621522
14861504
14711516
14771511
14681531
14361522
13791398
13841397
13851400
13861398
13911410
13891410
13951409
14061425
14171434
14211437
14691503
14741493
14841495
14841495
14831505
14811497
14851506
14881500
14891510
Comment (c)
(d)
(g); 1429 (Ref. 59)

1438 (Ref. 60)
14271443 (Ref. 40)
(h)
(d,i); 1469 (Ref. 61)
(d,j); 1492 (Ref. 61)
1501 (Ref. 45)
043101-38

Name
N (a)
2-Nonenal, (Z)Chrysanthenone
Artemisia alcohol
Camphor
Tagetone, (Z)Benzaldehyde
2-Nonanol
Pinene hydrate, transb-Bourbonene
Pinocamphone, trans
Cyperene
a-Gurjunene
b-Guaiene, trans2-Nonenal, (E)b-Cubebene
Italicene
Linalool
Pinocamphone, cis
Sabinene hydrate, trans1-Octanol
Linalool acetate
Menthyl acetate
a-Bergamotene, cisChrysanthenyl acetate, cisSabinene hydrate acetate, cisFenchol, endoTerpine-1-ol
Isobornyl acetate
Nopinone
Furfural, 5-methylPinocarvone
a-Bergamotene, transb-Ylangene
Longifolene
neo-Menthol
Nonyl acetate
Bornyl acetate
b-Copaene
2,6-Nonadienal, (2E,6Z)a-Santalene
a-Cedrene
p-Menth-2-en-1-ol, transMyrcenol
Caryophyllene, (Z)b-Elemene
Isophorone
54
11
13
177
4
390
41
1
135
14
10
82
2
178
116
6
675
21
55
291
91
10
15
10
1
16
8
20
11
118
64
55
18
31
14
19
168
26
143
7
43
63
17
47
17
220
22
Bornyl formate
Isopulegone, transMethyl decanoate
b-Gurjunene
2-Undecanone
Caryophyllene, (E)Carvacrol, methyl ether
Terpinen-4-ol
Camphene hydrate
9
4
42
37
83
507
33
394
5
Average
value
Standard
deviation
1501.9
1507.6
1515.1
13.1
14.1
12.8
18.1
1500
1510
1510
1518
15071532
1518.7
1519.6
22.7
16.7
1520
1521
15041533
15111532
1523.2
1523.4
1528.0
1529.1
15.3
14.3
7.8
11.4
1526
1524
1528
1527.5
15151535
15231538
1535.9
1541.7
16.5
12.3
1535
1545
15261547
15361549
1543.3
1544.6
1548.9
1551.6
1554.0
1554.8
1559.1
1561.1
16.9
19.9
12.1
17.0
12.5
16.7
17.8
21.5
1547
1551
1551
1556
1555
15371553
15351562
15421556
15441562
15481565
1557
1559
15451577
1570.0
1572.9
1572.9
1573.1
1573.6
1575.5
1575.7
1576.9
1577.3
1578.1
1578.6
1579.3
1579.8
1582.2
1582.7
1582.9
1584.2
11.3
9.7
12.6
19.9
22.9
15.0
10.2
12.9
10.1
18.7
9.9
15.6
16.1
14.0
11.6
15.7
22.5
16.5
15.1
1573
1587.2
1588.2
1590.9
1591.2
1595.1
1596.2
1596.3
1596.7
1598.1
1598.5
1598.9
1601.2
Median
value
1577
1566
1570
1586
1580
1576
1576
1581
1580
1585
1583
1576
1578
1573
1585
1589
12.3
24.3
1591
1593
9.8
2.7
14.8
17.5
11.7
20.1
15.1
18.8
1588
1593.5
1601
1598
1596
1601
1602
50% RI
range
90% RI
range (b)
14921512
14801529
14821522
14761523
14811537
14591580
14811555
14841538
15641584
15601584
15651586
15681583
15721583
15701592
15671590
15731593
15711600
15711605
15781598
15851600
15721607
15851604
15901610
15931604
15851612
15851614
15921611
14961546
15041548
15141540
15111545
15321643
15091569
15181560
14891543
15071564
15111562
15261565
15191574
15321570
15351585
15341580
15331590
15431593
15621589
15511585
15451601
15391619
15451590
15601590
15471589
15631595
15511604
15601603
15491597
15501603
15551601
15741601
15631608
15571625
15811625
15631607
15701685
15651608
15591632
15881610
15921598
15811624
15641618
15791617
15691632
15761614
15641630
15181602
Comment (c)
(d); 1522 (Ref. 62)

(d,k)
1517 (Ref. 45)
1528 (Ref. 6)
1522 (Ref. 63)
(d)
(h)
1582 (Ref. 64)

1564 (Ref. 65)
15641585 (Ref. 40)

1601 (Ref. 59)
(d)
(d,k)
(l); 1589 (Ref. 66)
(d); 15531585 (Ref. 40);
1599 (Ref. 6)
1589 (Ref. 67)
RETENTION INDICES
043101-39
Name
N (a)
Lavandulyl acetate
Hotrienol
Linalool propanoate
Undecanal
2,4-Octadienal-, (2E,4E)Sabinene hydrate acetate, trans2-Octen-1-ol, (E)b-Cyclocitral
b-Cedrene
p-Menth-2-en-1-ol, cisCitronellyl formate
Methyl benzoate
Aromadendrene
Dihydrocarvone, transButanoic acid
a-Bulnesene
Menthol
Myrtenal
Thujopsene, cisEthyl decanoate
p-Mentha-2,8-dien-1-ol, transb-Terpineol, cisc-Elemene
2-Decenal, (E)Terpinen-4-ol acetate
Benzeneacetaldehyde
Umbellulone
Muurola-4 (14),5-diene, cisb-Santalene
Acetophenone
Alloaromadendrene
Sabina ketone
b-Farnesene, cisa-Guaiene
p-Mentha-2,8-dien-1-ol, cisPulegone
1-Nonanol
Furfuryl alcohol
Citronellyl acetate
Isoborneol
Verbenol, cisPinocarveol, transa-Himachalene
b-Farnesene, (E)b-guaiene, cisButanoic acid, 2-methylEthyl benzoate
Isovaleric acid
a-Humulene
c-Gurjunene
Salicylaldehyde
Methyl chavicol
b-Humulene
Neryl formate
Cryptone
Decyl acetate
21
30
9
57
15
2
26
49
23
71
19
68
115
18
235
38
50
81
10
105
29
5
55
80
11
218
12
2
11
107
136
10
44
20
16
35
82
117
87
27
20
84
14
169
14
107
85
207
395
14
26
32
5
30
8
29
30
Average
value
Standard
deviation
1602.3
1602.5
10.5
13.8
1605.1
1605.3
1610.3
1610.3
1611.1
1614.1
1615.2
1615.5
1620.2
1623.1
1623.7
50% RI
range
90% RI
range (b)
1606
1607
15961609
15881615
14.1
16.3
1604
1601
15951614
1613
1606
1606
1638
1615
1611.5
1620
1624
1624
1629
1636
1635
1627
1635
1639
1639
1642
1642
16061620
15991624
15951632
15671638
1639.1
1639.7
1640.1
1640.7
1641.7
11.8
17.3
23.7
35.8
15.2
21.9
25.2
17.7
19.2
48.4
15.8
18.6
16.2
12.5
22.6
14.0
13.7
19.8
23.4
22.2
22.3
1644.9
1647.6
1649.2
15841617
15801616
15961696
15821630
15851634
15011610
15901622
15481638
15741647
15551645
15881644
15831656
15831668
16001650
15931655
16081730
15991651
15971648
16061660
16161660
16111688
16161644
16121654
15951662
16091687
16051680
16101667
15171643
16171663
16071699
16241668
16061683
16271668
15831668
16201678
16261663
16241674
16181688
16331671
16351675
16471668
16431671
16321723
16431684
16211702
16391693
16401706
16361697
16371689
16471689
16291704
16521690
16601689
16701740
16411708
16441690
16621692
1630.4
1631.5
1631.8
1636.2
Median
value
16001632
16041629
16131636
16181641
16211648
16261644
16331650
16301655
1641
1646
16251652
15.5
25.4
15.5
1645
1649
16311660
16381661
1651.4
15.7
1653
16381667
1652.1
1654.5
1655.7
1656.3
1656.5
1659.1
1659.8
1661.2
1663.9
1663.9
1663.9
1664.5
1665.1
1666.5
1666.7
1668.2
1670.9
1671.4
1673.2
19.1
12.5
14.6
18.9
13.3
11.8
6.8
10.1
28.6
12.2
23.9
16.4
21.6
17.6
18.1
11.4
23.5
12.8
10.7
1649
1661
1660
1659
1658
1660
1663
1664
1652
1665
1667
1661
1659.5
1665
1667
1673
1674
1671
1674
1674.1
1674.8
1677.3
22.3
15.3
11.9
1679
1677.5
16511662
16491665
16481665
16501666
16541665
16541663
16521670
16591670
16571673
16501677
16571679
16551682
16581685
16611680
16681687
16691688
Comment (c)
(d); 16041610 (Ref. 40)
1501 (Ref. 68)
(d); 1638 (Ref. 57)
(d,m); 1645 (Ref. 69)

(d); 1730 (Ref. 70)
(d)
(d,k)
(d,k)
(d); 1630 (Ref. 71)

(d); 1657 (Ref. 55)
1660 (Ref. 6)
(d); 1651 (Ref. 61)
(n); 1655 (Ref. 72)
(d)
(d)
16521665 (Ref. 40)
16441667 (Ref. 40)
(o); 1674 (Ref. 73); 1738 (Ref. 59)

(d)
1690 (Ref. 59)
043101-40

Name
N (a)
Neral
d-Terpineol
Lavandulol
Verbenol, trans4-Ketoisophorone
Carvotanacetone
b-Acoradiene
Limonen-4-ol
Methyl geranate
c-Muurolene
Myrtenyl acetate
c-Curcumene
a-Amorphene
a-Terpineol
a-Terpinyl acetate
2,4-Nonadienal, (2E,4E)Viridiflorene
Geranyl formate
Borneol
Dihydrocarveol
Germacrene D
c-Himachalene
Piperitol, transDodecanal
b-Selinene
Sabinol, transNeryl acetate
Veratrole
Verbenone
a-Zingiberene
Benzyl acetate
b-Himachalene
a-Muurolene
Phellandral
b-Chamigrene
Geranial
a-Selinene
Carvyl acetate, transb-Bisabolene
a-Farnesene, (Z,E)1,4-Dimethoxybenzene
Valencene
Piperitone
Carvone
Bicyclogermacrene
Naphthalene
b-Curcumene
Linalool oxide (pyranoid), transa-Bisabolene, (Z)a-Farnesene, (E,E)c-Bisabolene, (E)Germacrene A
2-Undecenal, (E)Piperitol, cisc-Bisabolene, (Z)Geranyl acetate
1-Decanol
147
37
25
53
20
7
9
19
7
143
15
21
19
507
90
73
68
16
199
5
286
7
36
67
144
8
102
14
68
41
64
16
173
14
10
137
113
8
138
20
7
60
66
123
186
82
14
43
11
153
6
11
43
58
8
178
53
Average
value
Standard
deviation
Median
value
50% RI
range
90% RI
range (b)
1678.5
1679.3
1679.4
1680.3
1682.5
1687.7
1687.7
1688.1
1688.4
1689.8
1691.9
1692.1
1693.1
1694.0
1694.8
1696.1
1696.2
1696.9
1699.6
1707.3
1708.2
1708.7
1710.4
1711.5
1716.9
1717.0
1718.1
1720.3
1720.5
1720.7
1723.1
1723.1
1723.4
1723.9
1723.9
1725.0
1725.3
20.5
9.2
12.8
7.5
21.8
21.2
12.5
16.6
10.4
17.2
10.9
8.5
23.9
19.2
14.9
13.1
15.6
17.4
22.5
9.2
17.1
10.2
28.9
13.7
18.8
5.0
13.9
16.4
11.6
14.6
26.9
1679
1682
1677
1683
1676
1697
1693
1700
1686
1691
1698
1690
1688
1697
1692.5
1698
1697
1693
1701
16681693
16801684
16721686
16751684
16681695
20.4
26.4
21.5
19.1
16.1
1727.5
1727.9
1728.6
1729.9
1733.6
1734.5
1735.6
1737.0
1738.5
1740.4
1743.9
1744.7
1747.4
1747.6
1750.5
1750.5
1751.1
1754.7
16411706
16551687
16621706
16651691
16551718
16521716
16741708
16621717
16781701
16551714
16771704
16821704
16621744
16591724
16721718
16731715
16581712
16651727
16531728
16981727
16761726
16961723
16751761
16851732
16861743
17081720
16931740
16951753
16961735
16961743
16891771
17041752
16861753
16871770
16861755
16801750
16961748
16871765
16981748
17131748
16931759
16881761
16891748
16991751
16921757
16901765
17111756
17161770
17021772
17141763
17271761
17251776
17101784
16681771
17261773
17281772
17251782
1710
1705
1695
1712
1715
1719.5
1723
1721
1725
1725
1723
1718
1726
16791704
16851704
16821706
16851709
16871705
16941704
16901719
16991726
16891739
17021722
17061731
17061726
17131726
17131728
16971742
17141740
1728
1725
17161739
17161740
15.4
9.6
1727
1725
17181741
17211733
21.9
20.5
19.1
20.0
24.9
14.1
17.1
21.1
15.1
13.9
14.5
21.8
12.1
14.9
14.7
17.3
1727
1736.5
1738
1734
1744
1738
1739
1740
1745
17171740
17171744
17201751
17231751
17151755
1743
1750
1753.5
1752
1759
17251750
17351755
17371762
17431764
17441766
Comment (c)
(d)
1700 (Ref. 61)
1689 (Ref. 74)
1740 (Ref. 61)

(d); 1744 (Ref. 74)
(d)
(d,p)
(d)
(d)
(d)
(q); 1758 (Ref. 59)
RETENTION INDICES
043101-41
Name
N (a)
d-Cadinene
2,4-Decadienal, (2E,4Z)Chrysanthenol, cisc-Cadinene
Citronellol
a-Selinene, 7-epiCitronellyl butanoate
Methyl salicylate
a-Cadinene
b-Sesquiphellandrene
Ar-Curcumene
331
53
7
165
157
5
4
130
39
62
102
27
Carvyl acetate, cisa-Bisabolene, (E)Neryl propanoate

Cumin aldehyde
Myrtenol
Perilla aldehyde
Nerol
iso-Dihydrocarveol
Sabinol, cis1(7),8-p-Menthadien-2-ol, trans2-Tridecanone
2,4-Decadienal, (2E,4E)2-Phenylethyl acetate
Geranyl propanoate
Cuparene
Tridecanal
b-Damascenone, (E)Calamenene, transGermacrene B
Anethole, (E)Calamenene, cisCarveol, transGeraniol
Ethyl dodecanoate
Hexanoic acid
a-Ionone, (E)p-Cymen-8-ol
1-Undecanol
Carveol, cisMethyl 3-phenylpropionate
Geranylacetone
o-Guaiacol
Benzyl alcohol
2-Dodecenal, (E)Thymol acetate
Safrole
Cinnamaldehyde, cisGeranyl butanoate
Carvacrol acetate
Average
value
Standard
deviation
Median
value
1755.7
1756.1
1762.0
1763.3
1763.9
1764.2
17.1
15.5
5.4
15.6
16.5
9.1
1758
1755
1764
1765
1765
1762
1767.8
1769.1
1771.4
1773.5
1773.8
28.2
22.7
11.7
14.6
21.6
1765
1779
1772.5
1777
1771
50% RI
range
90% RI
range (b)
17461772
17461768
17221774
17291779
17511765
17351782
17341789
17541775
17651811
17271809
17341803
17481783
17431788
17391797
17521776
17561774
17451794
17431785
17661783
17661786
17521795
7
11
10
12
74
54
12
128
33
205
3
9
14
52
176
116
14
19
25
171
22
63
37
109
94
311
67
274
32
158
21
57
6
91
165
276
17
12
18
7
3
13
3
17251795
1775.2
1777.7
1783.2
1784.1
1788.0
1789.6
1790.4
1793.9
1794.6
8.2
9.8
16.1
19.5
15.6
20.3
19.3
16.4
24.1
1772
1782
1790
1786
1786
1784
1796
1793
1797
1800.6
1803.1
1808.1
1808.2
1812.9
1815.5
1816.1
1818.5
1820.9
1823.0
1823.8
1826.1
1834.5
1836.3
1839.3
1839.7
1843.3
1843.4
1848.3
1853.3
1854.4
1854.5
1854.9
1859.8
1865.3
1865.8
13.3
13.5
11.9
21.5
20.6
11.6
23.8
15.0
18.0
13.9
26.8
15.3
15.7
13.2
22.3
14.7
20.0
30.2
19.3
18.9
22.6
7.7
16.2
20.7
24.6
18.7
1800
1811
1809
1810
1812
1816
1821
1824
1823
1826
1820
1829
1837
1845
1845
1840
1845
1839.5
1852
1853
1856
1854.5
1859
1860
1869.5
1867
1868.1
1868.1
7.6
19.1
1871.5
1879.0
1880.1
23.9
11.1
1877
17691802
17731799
17851804
17811807
17821808
18001815
17921827
17971827
18091830
18061838
18131830
18051854
18121838
18281847
18291845
18301857
18261850
18331856
18231864
18341864
18401871
18381881
18471868
18481873
18521881
17631786
17581786
17501800
17471805
17641810
17611821
17431808
17701818
17521832
17451800
17821820
17741821
17881825
17701834
17841851
17991830
17661849
17921833
17891842
18021844
17781854
18021846
18001853
18051850
17951865
18201866
18071873
17981892
18131865
18221876
18181882
18421866
18201873
18261894
18211905
18351901
17831945
18531876
18261878
18701888
18331907
18681890
Comment (c)
1797 (Ref. 70); 1794 (Ref. 45);

17351767 (Ref. 40)
(d,r); 1782 (Ref. 75);
1731 (Ref. 72)
18091818 (Ref. 40)
(d); 1819 (Ref. 74)
(s); 1800 (Ref. 55)
(d)
18551866 (Ref. 40)
(d); 1867 (Ref. 69)
18831893 (Ref. 40)
043101-42

Name
N (a)
1(7),8-p-Menthadien-2-ol, cisCubebol, epi2-Phenylethyl alcohol

Geranyl isovalerate
Piperitenone
Phenylacetonitrile
a-Calacorene
Tetradecanal
Palustrol
b-Ionone, (E)b-Calacorene
Cubebol
Heptanoic acid
Dendrolasin
p-Cresol, 2-methoxyJasmone, (Z)1-Dodecanol
Piperitenone oxide
Caryophyllene oxide
Phenol
Methyl tetradecanoate
4,5-Epoxy-2-decenal, (E)Methyl eugenol
Perilla alcohol
Nerolidol, (Z)p-Anisaldehyde
2-Pentadecanone
a-Humulene oxide
c-Nonalactone
Carotol
Guaiacol, 4-ethylFuraneol
Cinnamaldehyde, transSalvial-4(14)-en-1-one
Nerolidol, (E)Ledol
Pentadecanal
Humulene epoxide II
Gleenol
Germacrene-D-4-ol (Ref. 54)
Octanoic acid
Cubenol
p-Cresol
Cubenol, 1,10-di-epiMethyl cinnamate, transHexyl benzoate
Elemol
Sesquisabinene hydrate, cisGlobulol
b-Oplopenone
b-Elemol
1-Cubenol, epi-
19
34
359
14
12
24
100
40
30
165
16
32
74
2
24
35
65
11
1
5
297
141
19
57
76
34
22
36
25
12
82
7
59
138
6
17
164
44
18
2
41
62
12
29
228
67
98
5
14
21
88
2
97
20
10
23
Average
value
Standard
deviation
Median
value
50% RI
range
1894.9
11.2
1896
1903.7
1904.1
1909.1
1912.1
1921.4
1926.9
1930.4
1935.5
1940.3
1941.7
1950.9
25.0
15.7
38.7
27.2
16.8
13.7
9.3
20.7
21.1
26.3
22.6
1905
1904
18901920
1908.5
1918
1933
1934
1938
1933.5
1957
1951
18931933
19121941
19201934
19311938
19201954
1954.2
1955.2
1959.3
1969.5
17.2
19.5
18.7
14.7
1956
1961
1964
1964
19431962
19451969
19501973
19281957
19351965
90% RI
range (b)
18631903
18541928
18591944
18771925
18401949
18711957
18931941
19011944
19111938
18921958
19151984
18841964
19161993
Comment (c)
(d)
(t); 1900 (Ref. 59)
18851918 (Ref. 40)
(d); 1918 (Ref. 76); 1979 (Ref. 77)

1957 (Ref. 74); 1964 (Ref. 49)
1954 (Ref. 78)
1986.2
1992.1
1996.2
2000.7
2006.3
2006.6
2007.3
2010.7
2015.9
2019.6
2026.1
2027.6
2029.9
2031.1
2033.2
2035.9
2036.3
2039.1
25.1
28.2
8.8
12.9
24.4
21.9
12.9
23.1
12.5
17.9
21.1
11.2
20.8
19.3
11.5
5.9
19.6
17.9
1987
1997
1998
2000
2013
2007
2006.5
2009
2019
2015
2024
2024
2032
2031
2037
2041
2033.5
19702008
19732014
19932009
19862029
19912025
19952017
19892029
20102023
20122039
20202039
20202041
20272050
20252057
2045.7
2047.3
15.3
27.2
2046
2064
20382055
20242071
2056.9
2057.1
2067.8
2073.0
12.1
23.9
23.7
32.8
2059
2080
2080
20442075
20592080
20572091
2074.6
2074.6
2078.8
2081.5
2082.4
2084.5
2087.7
2088
21.6
22.2
19.1
2079
2074
2080
17.3
17.4
11.5
2085
2092
2089.5
20662095
20722096
20702098
20852092
19331980
19141977
19241980
19541992
19401984
19362023
19332032
19782037
19782021
19612033
19632029
19922027
19802050
19962031
19922083
19932063
20142045
19862065
19932066
20152044
20162043
19952055
20142062
19802060
20442054
20252070
20032071
20082054
20002070
20112089
20192090
20032121
20222074
20462105
20332097
20432103
20752088
20492104
20492097
20702105
20262090
1970 (Ref. 79)

1983 (Ref. 80)
(d,u); 19932002 (Ref. 40)
2016 (Ref. 49); 2029 (Ref. 74)
(d)
(d); 2045 (Ref. 74)
(d); 2037 (Ref. 74); 2016 (Ref. 49)
(d); 2041 (Ref. 81); 1999 (Ref. 45)
(d); 2070 (Ref. 78); 2071 (Ref. 74)

(d); 2051 (Ref. 82); 2051 (Ref. 45)
(d,v); 2069 (Ref. 83)
20392056 (Ref. 40)
2074 (Ref. 49)

(d)
(d); Average of RI data

(Refs. 45, 49, and 74)
RETENTION INDICES
043101-43
Name
N (a)
Guaiol
Viridiflorol
Sesquisabinene hydrate, transGeranyl tiglate
Globulol, epip-Cymen-7-ol
c-Eudesmol, 10-epi3-Hexenyl benzoate, (Z)Cedrol
Hexahydrofarnesylacetone
Spathulenol
Hexadecanal
c-Decalactone
b-Copaen-4a-ol
b-Bisabolol
Valeranone
1-Tetradecanol
Patchouli alcohol
Longiborneol
Nonanoic acid
Eugenol
a-Acorenol
Thymol
30
102
3
3
11
28
16
31
25
40
208
19
83
3
12
6
10
4
6
109
187
5
125
a-Cadinol, epic-Eudesmol
a-Muurolol
Guaiacol, p-vinyla-Muurolol, epid-Decalactone
Bulnesol
Carvacrol
a-Bisabolol
a-Bisabolol, epia-Eudesmol
a-Cadinol
b-Sinensal
2-Heptadecanone
Isospathulenol
Elemicin
Cadalene
b-Eudesmol
Himachalol
Intermedeol
Ethyl hexadecanoate
Selin-11-en-4a-ol
Farnesyl acetate, (2E,6E)Myristicin
Eugenol acetate
p-Anisyl alcohol
Decanoic acid
Isophytol
a-Sinensal
Caryophylla-4(12),8(13)-dien-5a-ol
129
59
94
120
122
67
16
8
47
139
56
12
69
163
27
7
8
21
28
128
4
5
59
20
16
12
4
5
149
6
19
8
8
Average
value
Standard
deviation
2088.9
2089.8
14.3
19.3
2099.3
4.9
2100.7
2105.8
2119.4
2119.6
2124.8
2126.6
2132.0
2135.3
Median
value
50% RI
range
90% RI
range (b)
2091
2093
20802103
20832104
15.6
12.8
25.7
18.8
12.1
22.7
19.5
25.4
2107
2107.5
2122
2118
2131
2133
2135
2137
20932113
2143.1
2145.1
2152.4
27.2
9.5
16.1
2143
2145
2156
2157.2
2159.1
2162.7
10.1
27.8
28.1
2154
2165
2166
21382178
21512185
2164.3
35.7
2176
21302198
20612104
20412110
19802092
20962105
20002100
20702114
20892121
20712148
20932149
20962131
20742150
20942164
20902178
20202141
20902189
21282155
21232174
21562188
21472174
21102196
21002198
21232207
21002205
2169.7
2176.1
2183.1
2185.6
2186.4
2187.8
2205.3
19.4
15.6
27.5
22.2
18.7
26.4
22.9
2169
2177
2187
2184
2185
2190
2201
21562187
21702185
21652205
21732200
21752209
21782205
2210.6
2210.8
2213.6
2214.3
2222.7
2227.3
2229.3
2229.7
2230.8
2231.3
19.9
35.1
17.7
23.9
20.6
23.0
21.1
20.1
16.4
16.1
2210
2223
2213.5
2211
2229
2225
2237
2231
2231
2228
22002223
21862239
22042232
2238.0
2240.8
2243.0
2249.3
2252.0
2259.2
2261.4
2266.3
21.3
3.8
22.2
17.9
25.0
18.7
19.9
11.2
2239.5
2240
2247
2251
2255
2260
2259
22222256
2273.7
2292.5
2300.8
2301.0
23.3
6.8
37.2
19.9
2276
2296
2304
2298
21072142
21022132
21262131
21172144
21252151
22122234
22182255
22192245
22382259
22472273
22612296
21362200
21472199
21352219
21452219
21532209
21372221
21712248
21542227
21752245
21402246
21782234
21862256
21862250
21802255
21862254
21962255
22062254
22142260
21462256
21962272
22372246
22182264
22232279
22072274
22222283
22252296
22522277
21912290
22272301
22822299
22362363
22722324
22392325
Comment (c)
(d); 2100 (Ref. 72)
(d)
2163 (Ref. 49)

2190 (Ref. 78); 2198 (Ref. 74);
2156 (Ref. 84)
(d); 2248 (Ref. 85)

(d)
(d); 2256 (Ref. 59)
(d)
(d); 2238 (Ref. 49)
(d); 2256 (Ref. 57); 2233 (Ref. 45)
(d); 2296 (Ref. 86)

(d); 22272271 (Ref. 40)
(d); 2320 (Ref. 49)

(d); 2320 (Ref. 83)
043101-44

Name
N (a)
Farnesol, (2Z,6Z)Chavicol
Farnesol, (2E,6Z)Dill apiole
Farnesol, (2Z,6E)Farnesol, (2E,6E)Eudesma-4(15),7-dien-1b-ol
1-Hexadecanol
Manoyl oxide
Undecanoic acid
Caryophyllenol II
Chamazulene
Methyl oleate
Indole
Abietadiene
Dodecanoic acid
Methyl linoleate
Abietatriene
Ethyl linoleate
Nootkatone
Vanillin
1-Octadecanol
Benzyl benzoate
Phytol
Tridecanoic acid
Manool
Manool, 13-epiTetradecanoic acid
Benzyl salicylate
Pentadecanoic acid
Hexadecanoic acid
Hexadec-9-enoic acid, (Z)Octadecanoic acid
Oleic acid
Linoleic acid
16
13
9
10
51
6
7
40
10
2
25
7
19
9
10
38
3
96
12
14
18
20
109
15
31
31
9
4
1
82
7
31
97
3
7
8
6
Average
value
Standard
deviation
Median
value
50% RI
range
2324.4
2337.0
23.5
10.8
2346.3
2356.8
32.7
10.6
2355
23502366
2371.3
2374.9
11.6
16.3
2370
2381.5
23652384
2323
2339
2390.7
24.5
2400
2414.7
17.1
2417.5
2437.3
2440.5
25.2
22.6
2486.5
2493.8
2506.1
2521.9
2548.3
2569.5
2586.4
2612.7
2613.4
24.6
15.4
18.8
21.9
28.8
21.9
27.5
35.1
12.3
36.1
2686.8
2787.5
28.3
20.5
2692
2913.2
24.9
2931
3148.3
28.6
3137
2444
2489.5
2487
2522.5
2549
2569
2598
2618
2619
24712503
25552585
25772648
90% RI
range (b)
22862355
23202358
22192342
23052384
23402370
22782387
23512402
23412392
23352376
23772382
23392421
23922396
23862445
23342452
24002476
23462478
24492502
24422524
24762523
24762530
24862573
25042595
25312605
25342626
25652655
25102633
25732678
23702628
Comment (c)
(d,w); 2287 (Ref. 71)
(w); 2341 (this work)
(d); 2384 (Ref. 61)
(w); 2341 (Ref. 61); 2351 (Ref. 72)
(w); 2366 (this work); 2369 (Ref. 61)
(d); 2385 (Ref. 77)
(d); 2376 (Ref. 82)
(d); 2400 (Ref. 86)
(t); 2392 (Ref. 74)
(d); 2370 (Ref. 87); 2430 (Ref. 88)
(d); 24262442 (Ref. 40)
(d,x)
(d)
(d); 2524 (Ref. 82)
(d)
(d); 2607 (Ref. 57)
(d); 2655 (Ref. 59)
(d,y)
(d); 2617 (Ref. 74)
2676 (Ref. 89)
26702713
28942931
26342719
27602810
27202840
28622945
28882960
31203203
30793200
32153314
(d); 2804 (Ref. 90)

(d); 2822 (Ref. 74)
(d)
(d); 3200 (Ref. 91)
(d); 3290 (Ref. 91)
Comments: (a) Number of data records. (b) See (b) in Table 3. (c) See (c) in Table 3. (d) Two (or more) separate data clusters or a large data spread were
observed. (e) See (e) in Table 3. (f) Mix of data for different isomers is possible. (g) Two RI data clusters. The first was deleted due to the probability of it
being a misidentification (12691314 range). (h) See (f) in Table 3. (i) Two data clusters:14621482 and 15391541. (j) The main data cluster (with largest
number of data records) was chosen to calculate the average value. (k) Average or median value in the gap between RI data clusters. (l) The main RI data cluster was used to calculate the average value. (m) The dataset possibly represents a mix of data for cis- and trans-isomers. (n) Two RI data clusters: 15831611
and 16501668. (o) Two data clusters: 16701680 and 17081740. (p) Data possibly include RI values for cis-isomer. (q) Two RI data clusters: 16681701
and 17381771. The dataset possibly represents a mix of data for trans-and cis-isomers. The calculated average corresponds to the cluster with higher retention
indices; (r) Dataset possibly includes RI values for trans-isomer. (s) Two data clusters; cluster with smaller values was deleted (16281707). (t) Most of RI
measurements belong to the group of Baser et al.69 (u) Average and median RI values were calculated for the main data cluster. (v) The average RI value was
calculated for data cluster with higher RI values. (w) See (i) in Table 3. (x) RI data cluster (23462367) was deleted for calculation of median and average values. Deleted RI values were measured on Carbowax 20M in 19801990. (y) Average and median RI values were calculated for the RI data cluster which
includes data of Baser and Demirci. (RI 2622).81
RETENTION INDICES
043101-45
TABLE 6. Averaged standard deviation and confidence range size for commonly reported constituents of essential oils
Stationary phase
Averaged standard
deviation (iu)
Averaged 50%
confidence
RI range (iu)
Averaged 90%
confidence
RI range (iu)
8.5 (63.7)
7.9 (63.3)
16.7 (66.0)
10.7 (66.5)
6.7 (65.3)
22.6 (69.7)
27.1 (612.0)
25.5 (611.1)
55.6 (625.2)
Dimethylsilicone (DIMS)
Dimethylsilicone with 5% phenyl groups (DIMS5P)
Polyethylene glycol (PEG)
TABLE 7. The structural assignment of four isomers of farnesol using retention data(a)
RI (elution order)
Elution order
Isomer
DIMS (b)
DIMS5P (b)
DIMS5P
(DB5) (c)
DIMS5P
(DB5) (d)
DIMS5P
(XTI5) (e)
Apiezon T (f)
DIMS
(OV-101) (g)
DIMS (h)
FFAP (i)
Carbowax 20M (j)
2Z,6E
2Z,6Z
2E,6E
2E,6Z
1687 6 7 (1)
1691 6 2 (2)
1705 6 11 (3)
1710 6 15 (4)
1694 6 7 (1)
1714 6 6 (2)
1722 6 6 (3)
1744 6 3 (4)
1701 (1)
1718 (2)
1725 (3)
1746 (4)
1722 (3)
1698 (1)
1742 (4)
1714 (2)
2,3
1
4
2,3
3
1
4
2
3
1
4
2
2
1
4
3
3
1
4
2
2,3
1
4
2,3
(a) DIMSdimethylsilicone; DIMS5Pdimethylsilicone with 5% phenyl groups. (b) This work. Retention indices were estimated using the NIST GC-RIdatabase (see text). (c) Ref. 53. (d) Ref. 7. (e) Ref. 92. (f) Ref. 93. (g) Ref. 94. (h) Ref. 95. (i) Ref. 96. (j) Ref. 97.
4. Summary
In this work, we evaluated 505 retention indices for most
frequently reported constituents of essential oils. Retention
indices were evaluated for dimethylsilicone, dimethylsilicone with 5% of phenyl groups, and polyethylene glycol stationary phases and for temperature programming conditions
(Tables 24). The data obtained cover approximately 70% to
90% of compounds typically identified in the essential oils.
The data evaluation was based on the treatment of multiple
measurements from the NIST GC-RI database. We analyzed
data distributions of available RI measurements for components of essential oils. Particular attention was paid to cases
where multimode behavior was observed.35,36 Evaluated
retention indices correspond to typically used GC measurement conditions. Data presented include average and median
values along with the evaluation of confidence intervals.
The use of retention data for analytical applications has
several benefits. One of the main advantages is the possibility of identifying stereo- and geometrical isomers and
removing false-positive identifications. Another useful application of evaluated indices is their use for calibration purposes. Compounds from the analyzed list (Table 1) can serve
as reference compounds to derive retention indices of other
components instead n-alkanes. Additionally, the use of elution order data is of interest for RI data control and improvements in accuracy of retention indices and their consistency.
The set of compounds considered represents possibly the
best characterized components of essential oils in terms of
GC retention index measurements. The evaluated data provide information on the variability of RI measurements and,
to some extent, on the accuracy in the RI determinations.
This information is of interest for different procedures of
chemical compound identification using GC retention indices. The derived retention data can be used for comparison
purposes and to further increase the accuracy of retention
index measurements.
5. Acknowledgments
The authors would like to thank N. R. Andriamaharavo,
W. G. Mallard, and E. White V for useful discussions and
comments.
6. References
1
K. H. C. Baser and G. Buchbauer, Handbook of Essential Oils. Science,

Technology and Applications (CRC, Boca Raton, FL, 2009).
2
J. Harding, The Essential Oils Handbook (Duncan Publishers, Baird,
2008).
3
P. J. Marriott, R. Shellie, and C. Cornwell, J. Chromatogr. A 936(12), 1
(2001).
4
V. A. Worwood, The Complete Book of Eesential Oils and Aromatherapy
(New Worl Library, Novato, CA, 1991).
5
V. Pacakova and L. Feltl, Chromatographic Retention Indices. An Aid to
Identification of Organic Compounds (Ellis Horwood, Chichester, 1992).
6
F. Bianchi, M. Careri, A. Mangia, and M. Musci, J. Sep. Sci. 30(4), 563
(2007).
7
R. P. Adams, Identification of Essential Oil Components by Gas Chromatography/Mass Spectrometry, 4th ed. (Allured Publ., Carol Stream, IL,
2007).
8
I. Merfort, J. Chromatogr. A 967(1), 115 (2002).
9
V. I. Babushok, P. J. Linstrom, J. J. Reed, I. G. Zenkevich, R. L. Brown,
W. G. Mallard, and S. E. Stein, J. Chromatogr. A 1157(12), 414 (2007).
10
S. E. Stein, V. I. Babushok, R. L. Brown, and P. J. Linstrom, J. Chem. Inf.
Model. 47(3), 975 (2007).
11
P. Ausloos, C. L. Clifton, S. G. Lias, A. I. Mikaya, S. E. Stein, D. V. Tchekhovskoi, O. D. Sparkman, V. Zaikin, and D. Zhu, J. Am. Soc. Mass Spectrom. 10(4), 287 (1999), (NIST Standard Reference Database 1A. NIST/
043101-46
EPA/NIH Mass Spectral Library with Search Program. Data Versions:

NIST 05 and NIST 08, 20052008).
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See supplementary material at http://dx.doi.org/10.1063/1.3653552 for the
list of references of RI data sources of essential oil components.

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Retention Indices for Frequently Reported

Compounds of Plant Essential Oils

Retention Data Presentation and Discussion . . . .

Cross-reference list of essential oil components

Electronic mail: vbabushok@nist.gov.

The practical applications of plant essential oils are very

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

BABUSHOK, LINSTROM, AND ZENKEVICH

The purpose of this communication is to evaluate retention

Ix 100n 100logt0x logt0n =logt0n1 logt0n ; (1)

where tn, tn1, and tx are net retention times.

3. Retention Data Presentation and

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

name of the compound,

Data are ordered in accord with the RI value (average

BABUSHOK, LINSTROM, AND ZENKEVICH

can also be found in NIST/EPA/NIH-MS-database11 and the

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4methylene-, [1aR-(1aa,4aa,7a,7ab,7ba)]1,5-Heptadien-4-ol, 3,3,6-trimethyl1,5-Heptadien-4-one, 3,3,6-trimethylPhenylformaldehyde

Naphthalene, 4-isopropyl-1,6-dimethylNaphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4(1-methylethyl)-, [1S-(1a,4a,4aa)]Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1(1-methylethyl)-, (1a,4ab,8aa)Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

BABUSHOK, LINSTROM, AND ZENKEVICH

methylene-1-(1-methylethyl)-, (1a,4ab,8aa)Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1(1-methylethyl)-, (1S-cis)a-Cadinol

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

BABUSHOK, LINSTROM, AND ZENKEVICH

1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1methylethylidene)-, [1R-(1a,4ab,8aa)]1-Naphthalenol, 1,2,3,4,4a,5,8,8a-octahydro-8a-methyl- 119120-23-9 C15H24O

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

BABUSHOK, LINSTROM, AND ZENKEVICH

1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7boctahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)()Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1methylethenyl)-, [1R-(1a,3ab,4a,7b)]-

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

BABUSHOK, LINSTROM, AND ZENKEVICH

p-Menth-2-en-1-ol, cisp-Menth-2-en-1-ol, transp-Mentha-1,5-dien-8-ol

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

Acetic acid, nonyl ester

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

BABUSHOK, LINSTROM, AND ZENKEVICH

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

RI(DIMS) RI(DIMS5P) RI(PEG)

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

BABUSHOK, LINSTROM, AND ZENKEVICH

RI(DIMS) RI(DIMS5P) RI(PEG)

Methyl nonyl ketone

TABLE 2. Related enantiomers and racemic mixtures

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

TABLE 2. Related enantiomers and racemic mixturesContinued

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

BABUSHOK, LINSTROM, AND ZENKEVICH

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011

(g); 1132 (Ref. 50);

J. Phys. Chem. Ref. Data, Vol. 40, No. 4, 2011