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Benzene, 1,3-dimethyl-

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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Polydimethyl siloxane: CP-Sil 5 CBPetrocol DHDB-5VF-5 MSVF-5 MS
Column length (m) 60.100.30.60.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 1.00.500.250.250.25
Tstart (C) 45.20.40.30.30.
Tend (C) 210.220.250.260.260.
Heat rate (K/min) 3.615.8.2.2.
Initial hold (min) 1.4515.2.  
Final hold (min) 2.7230.5.28.28.
I 861.859.867.869.874.
ReferenceBramston-Cook, 2013Supelco, 2012Czerny, Brueckner, et al., 2011Leffingwell and Alford, 2011Leffingwell and Alford, 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-5HP-5 MSPONAVF-5MS5 % Phenyl methyl siloxane
Column length (m) 30.30.50.30.30.
Carrier gas HeliumHeliumNitrogen He
Substrate      
Column diameter (mm) 0.250.250.200.250.25
Phase thickness (mum) 0.250.250.500.251.
Tstart (C) 40.35.35.40.40.
Tend (C) 280.195.200.250.250.
Heat rate (K/min) 6.2.2.7.7.
Initial hold (min) 1.5.15. 10.
Final hold (min) 9.30.10. 5.
I 871.863.860.870.878.
ReferenceHarrison and Priest, 2009Kim and Chung, 2009Zhang, Ding, et al., 2009Ghiasvand, Setkova, et al., 2007Ramirez R. and Cava R., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase 5 % Phenyl methyl siloxaneHP-5SPB-5SPB-1SPB-1
Column length (m) 30.60.60.30.30.
Carrier gas HeHeHeliumHeHe
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (mum) 1.0.251.00.250.25
Tstart (C) 40.30.30.40.40.
Tend (C) 250.260.230.200.200.
Heat rate (K/min) 7.2.3.3.3.
Initial hold (min) 10.2. 10.10.
Final hold (min) 5.28.   
I 878.871.2875.849.848.
ReferenceRamirez R. and Cava R., 2007Leffingwell and Alford, 2005Sebastian, Viallon-Fernandez, et al., 2003Vichi, Castellote, et al., 2003Vichi, Pizzale, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1HP-5SPB-5SPB-5BP-1
Column length (m) 25.30.60.60.50.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.20.250.250.320.22
Phase thickness (mum) 0.1 0.251.0.75
Tstart (C) 40.50.50.40.50.
Tend (C) 250.200.240.200.200.
Heat rate (K/min) 8.3.5.3.5.
Initial hold (min) 5. 3.  
Final hold (min)   10.  
I 864.869.875.873.864.
ReferenceHayes R.A., Richardson B.J., et al., 2002Isidorov and Jdanova, 2002Kim and Lee, 2002Poligné, Collignan, et al., 2001Health Safety Executive, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeHP-5DB-5OV-1OV-101
Column length (m) 60.25.30. 50.
Carrier gas     Helium
Substrate      
Column diameter (mm) 0.250.200.32 0.20
Phase thickness (mum) 0.250.331. 0.50
Tstart (C) 40.50.40.50.30.
Tend (C) 220.180.200.160.100.
Heat rate (K/min) 5.5.3.2.1.
Initial hold (min) 10.3.5. 6.
Final hold (min)      
I 846.40875.877.860.857.
ReferenceBaraldi, Rapparini, et al., 1999Jung, Wichmann, et al., 1999Meynier, Novelli, et al., 1999Orav, Kailas, et al., 1999Orav, Kailas, et al., 1999, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5HP-5Ultra-2DB-1
Column length (m) 60.60.30.50.60.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 1.1.0.250.521.2
Tstart (C) 40.40.35.40.30.
Tend (C) 200.200.300.250.240.
Heat rate (K/min) 3.3.10.4.3.
Initial hold (min) 5.5.2.3.10.
Final hold (min) 2.2.10.30. 
I 873.873.875.3853.860.
ReferenceKondjoyan, Viallon, et al., 1997Kondjoyan, Viallon, et al., 1997Wang and Fingas, 1995King, Hamilton, et al., 1993Ciccioli, Cecinato, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1OV-1CP Sil 5 CBDB-5OV-101
Column length (m) 50.50.25.60.50.
Carrier gas H2H2HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.520.520.451.00.5
Tstart (C) 30.35.0.40.50.
Tend (C)   320.240.250.
Heat rate (K/min) 1.2.3.3.4.
Initial hold (min)   5.  
Final hold (min)   10.  
I 848.851.851.867.856.
ReferenceGuan, Zheng, et al., 1992Guan, Zheng, et al., 1992Hartgers, Damste, et al., 1992Berdague, Denoyer, et al., 1991Misharina, Golovnya, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101DB-1DB-1OV-101Squalane
Column length (m) 54.60. 50.100.
Carrier gas Helium  He 
Substrate      
Column diameter (mm) 0.260.32 0.200.25
Phase thickness (mum)      
Tstart (C) 50.50.50.80. 
Tend (C) 240.230.230.190. 
Heat rate (K/min) 5.4.4.1.0.1
Initial hold (min) 0.    
Final hold (min) 0.10.10.  
I 857.852.852.866.851.2
ReferenceZenkevich and Ventura, 1991Binder, Benson, et al., 1990Binder, Turner, et al., 1990Matisová, Kovacicová, et al., 1989Krupcik, Cellar, et al., 1986
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SqualaneSqualaneSqualaneSqualaneSqualane
Column length (m) 100.100.100.100.180.
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum)      
Tstart (C)     40.
Tend (C)      
Heat rate (K/min) 0.20.40.60.80.1
Initial hold (min)      
Final hold (min)      
I 853.2856.1858.2860.0851.
ReferenceKrupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SqualaneSqualaneSqualaneSqualaneDB-1
Column length (m) 180.180.180.180.50.
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum)      
Tstart (C) 40.40.40.40.0.
Tend (C)     250.
Heat rate (K/min) 0.20.40.60.83.
Initial hold (min)      
Final hold (min)      
I 853.856.859.861.852.
ReferenceKrupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2Habu, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPackedCapillary
Active phase OV-101SE-30Apiezon LSF-96
Column length (m) 50.50.2.111.
Carrier gas HeHe Nitrogen
Substrate   Chromosorb G-AW-DMCS 
Column diameter (mm) 0.310.5 0.76
Phase thickness (mum)     
Tstart (C) 0.40.25. 
Tend (C) 225.170. 130.
Heat rate (K/min) 3.3.10.3.
Initial hold (min) 1.3. 8.
Final hold (min)    40.
I 853.854.835.860.
Referencedel Rosario, de Lumen, et al., 1984Heydanek and McGorrin, 1981Dahlmann, Köser, et al., 1979Donetzhuber, Johansson, et al., 1976
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Czerny, Brueckner, et al., 2011
Czerny, M.; Brueckner, R.; Kirchoff, E.; Schmitt, R.; Buettner, A., The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenols, Chem. Senses, 2011, 1-15, retrieved from http://chemie.oxfordjournals.org. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G., Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth, J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y . [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T., Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline, Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0 . [all data]

Ghiasvand, Setkova, et al., 2007
Ghiasvand, A.R.; Setkova, L.; Pawliszyn, J., Determination of flavour profile in Iranian fragrant rice samples using cold-fibre SPME-GC-TOF-MS, Flavour Fragr. J., 2007, 22, 5, 377-391, https://doi.org/10.1002/ffj.1809 . [all data]

Ramirez R. and Cava R., 2007
Ramirez R.; Cava R., Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes, J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection, J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6 . [all data]

Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c . [all data]

Hayes R.A., Richardson B.J., et al., 2002
Hayes R.A.; Richardson B.J.; Claus S.C.; Wyllie S.G., Semiochemicals and social signaling in the wild European rabbit in Australia: II. Variations in chemical composition of chin gland secretion across sampling sites, J. Chem. Ecol., 2002, 28, 12, 2613-2625, https://doi.org/10.1023/A:1021452623055 . [all data]

Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M., Volatile organic compounds from leaves litter, Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7 . [all data]

Kim and Lee, 2002
Kim, N.-S.; Lee, D.-S., Comparison of different extraction methods for the analysis of fragrances from Lavandula species by gas chromatography-mass spectrometry, J. Chromatogr. A, 2002, 982, 1, 31-47, https://doi.org/10.1016/S0021-9673(02)01445-0 . [all data]

Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G., Characterization of traditional processing of pork meat into boucané, Meat Sci., 2001, 59, 4, 377-389, https://doi.org/10.1016/S0309-1740(01)00090-0 . [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P., Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees, Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8 . [all data]

Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M., VOC emission of polymeric packaging materials, LaborPraxis, 1999, 23, 9, 20-22. [all data]

Meynier, Novelli, et al., 1999
Meynier, A.; Novelli, E.; Chissolinim, R.; Zanardi, E.; Gandemer, G., Volatile compounds of commercial Milano salami, Meat Sci., 1999, 51, 2, 175-183, https://doi.org/10.1016/S0309-1740(98)00122-3 . [all data]

Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]

Orav, Kailas, et al., 1999, 2
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]

Kondjoyan, Viallon, et al., 1997
Kondjoyan, N.; Viallon, C.; Berdagué, J.L.; Daridan, D.; Simon, M.-N.; Legault, C., Analyse comparative de la fraction volatile de jambons secs de porcs Gascon et Large-White x Landrace Français, J. Rech. C.N.R.S., 1997, 29, 405-410, retrieved from http://www.rennes.inra.fr/srp/jrp/1997/97txtQualite/Q9704.pdf. [all data]

Wang and Fingas, 1995
Wang, Z.; Fingas, M., Differentiation of the source of spilled oil and monitoring of the oil weathering process using gas chromatography-mass spectrometry, J. Chromatogr. A, 1995, 712, 2, 321-343, https://doi.org/10.1016/0021-9673(95)00546-Y . [all data]

King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A., Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction, J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030 . [all data]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

Guan, Zheng, et al., 1992
Guan, Y.; Zheng, P.; Zhou, L., Prediction, optimization of separation, and identification of unknown compounds in capillary gas chromatography, J. Hi. Res. Chromatogr., 1992, 15, 1, 18-23, https://doi.org/10.1002/jhrc.1240150106 . [all data]

Hartgers, Damste, et al., 1992
Hartgers, W.A.; Damste, J.S.S.; de Leeuw, J.W., Identification of C2-C4 alkylated benzenes in flash pyrolysates of kerogens, coals and asphaltenes, J. Chromatogr., 1992, 606, 2, 211-220, https://doi.org/10.1016/0021-9673(92)87027-6 . [all data]

Berdague, Denoyer, et al., 1991
Berdague, J.-L.; Denoyer, C.; Le Quéré, J.-L.; Semon, E., Volatile components of dry-cured ham, J. Agric. Food Chem., 1991, 39, 7, 1257-1261, https://doi.org/10.1021/jf00007a012 . [all data]

Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]

Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K., Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen, Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A., Volatile components of purple starthistle, J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030 . [all data]

Matisová, Kovacicová, et al., 1989
Matisová, E.; Kovacicová, E.; Ha, P.T.; Kolek, E.; Engewald, W., Identification of alkylbenzenes up to C12 by capillary gas chromatography-mass spectrometry. II. Retention indices on OV-101 columns and retention-molecular structure correlations, J. Chromatogr., 1989, 475, 2, 113-123, https://doi.org/10.1016/S0021-9673(01)89667-9 . [all data]

Krupcik, Cellar, et al., 1986
Krupcik, J.; Cellar, P.; Repka, D.; Garaj, J.; Guiochon, G., Use of Kováts retention indices for characterization of solutes in linear temperature-programmed capillary gas-liquid chromatography, J. Chromatogr., 1986, 351, 111-121, https://doi.org/10.1016/S0021-9673(01)83477-4 . [all data]

Krupcik, Cellar, et al., 1986, 2
Krupcik, J.; Cellar, P.; Repka, D., Analyza cyklickych a aromatickych uhlovodnikov s poctom uhlikovych atomov 8 kapilarnou plynovou chromatografiou, Ropa a Uhlie, 1986, 28, 8, 485-495. [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R., Comparison of headspace volatiles from winged beans and soybeans, J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015 . [all data]

Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats, J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016 . [all data]

Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H., Multiple korrelation von retentionsindizes, Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943 . [all data]

Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C., Gas phase characterization of wood, pulp, and paper, Appl. Polymer Symp., 1976, 28, 889-901. [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References