Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Toluene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Normal alkane RI, 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 CP-Wax CBHP-InnowaxDB-WaxDB-FFAPHP-Innowax
Column length (m) 30.15.30.30.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.320.320.20
Phase thickness (mum) 0.250.500.500.250.20
Tstart (C) 50.40.40.40.45.
Tend (C) 150.250.260.230.190.
Heat rate (K/min) 2.3.4.8.4.
Initial hold (min)    2.2.
Final hold (min) 5.  5.50.
I 1028.1022.1059.1040.1061.
ReferenceAlves, da Penha, et al., 2012Puvipirom and Chaisei, 2012Shimadzu, 2012Czerny, Brueckner, et al., 2011Soria, Sanz, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxFFAPCP-Wax 52CBCP-Wax 52CBCP-Wax 52CB
Column length (m) 60.30.60.60.60.
Carrier gas HeliumN2HeHeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum) 0.250.50.50.50.5
Tstart (C) 40.35.40.40.40.
Tend (C) 240.320.220.220.220.
Heat rate (K/min) 3.4.4.4.4.
Initial hold (min) 5.5.8.8.8.
Final hold (min) 10.45.20.20.20.
I 1029.1047.1051.1043.1051.
ReferenceCros, Vandanjon, et al., 2007Nebesny, Budryn, et al., 2007Povolo, Contarini, et al., 2007Povolo, Contarini, et al., 2007Povolo, Contarini, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBDB-WaxCarbowax 20MDB-WaxDB-Wax
Column length (m) 60.30.50.60.60.
Carrier gas He Helium He
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.50.250.250.5 
Tstart (C) 40.40.40.35.60.
Tend (C) 220.200.190.240.220.
Heat rate (K/min) 4.8.4.4.2.
Initial hold (min) 8.3.2.5.4.
Final hold (min) 20.20.30.10. 
I 1051.1027.1026.1065.1041.
ReferencePovolo, Contarini, et al., 2007Schirack, Drake, et al., 2006de la Fuente, Martinez-Castro, et al., 2005Chida, Sone, et al., 2004Jiang and Kubota, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxStabilwaxDB-WaxDB-WaxDB-Wax
Column length (m) 50.60.30.30.30.
Carrier gas HeHeliumHe  
Substrate      
Column diameter (mm) 0.20.250.320.250.25
Phase thickness (mum) 0.20.250.50.250.25
Tstart (C) 45.40.40.30.30.
Tend (C) 190.240.260.250.250.
Heat rate (K/min) 4.3.4.4.4.
Initial hold (min) 2.5. 1.1.
Final hold (min) 50.10.   
I 1020.1029.1059.1034.1037.
ReferenceSoria, Gonzalez, et al., 2004Cros, Vandanjon, et al., 2003Shimadzu Corporation, 2003Tanaka, Yamauchi, et al., 2003Tanaka, Yamauchi, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10RTX-WaxDB-WaxDB-Wax
Column length (m) 30.30.60.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.50.250.25
Tstart (C) 40.40.40.50.50.
Tend (C) 200.200.180.220.220.
Heat rate (K/min) 3.3.5.4.4.
Initial hold (min) 10.10.5.4.4.
Final hold (min)   20.20.20.
I 1030.1026.1059.1017.1019.
ReferenceVichi, Castellote, et al., 2003Vichi, Pizzale, et al., 2003Galindo-Cuspinera, Lubran, et al., 2002Osorio, Duque, et al., 2002Osorio, Duque, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-WaxDB-WaxHP-WaxDB-WaxSupelcowax-10
Column length (m) 60.30.60.30.60.
Carrier gas HeHeliumHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.20.25
Phase thickness (mum) 0.50.250.5 0.25
Tstart (C) 40.25.40.50.35.
Tend (C) 190.220.190.180.200.
Heat rate (K/min) 3.4.3.3.4.
Initial hold (min) 6. 6.8.10.
Final hold (min)  30.   
I 1040.1031.1040.1055.1041.
ReferenceSanz, Maeztu, et al., 2002Duque, Bonilla, et al., 2001Sanz, Ansorena, et al., 2001Franco and Shibamoto, 2000Girard and Durance, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBDB-WaxPEG-20MDB-Wax
Column length (m) 60.50.60.25.60.
Carrier gas HeH2He He
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.250.220.25 1.
Tstart (C) 40.60.40.50.50.
Tend (C) 200.190.200.230.200.
Heat rate (K/min) 2.2.2.2.3.
Initial hold (min) 2.4.2.  
Final hold (min)  21.  40.
I 1037.1031.1036.1011.1029.
ReferenceUmano, Hagi, et al., 2000Hwan and Chou, 1999Umano, Nakahara, et al., 1999Ding, Deng, et al., 1998Horiuchi, Umano, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxTC-WaxSupelcowax-10DB-WaxDB-Wax
Column length (m) 30.60.90.60.60.
Carrier gas N2 HeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.25 0.25  
Tstart (C) 45.80.35.40.60.
Tend (C) 220.240.220.200.220.
Heat rate (K/min) 3.3.2.2.3.
Initial hold (min)  5.20.2.4.
Final hold (min)   30.  
I 1043.1038.1060.1038.1047.
ReferenceMölleken, Sinnwell, et al., 1998Shuichi, Masazumi, et al., 1996Girard and Lau, 1995Umano, Hagi, et al., 1995Chung, Eiserich, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MDB-WaxCarbowax 20MCarbowax 20MDB-Wax
Column length (m) 50.60. 50.60.
Carrier gas HeHe HeH2
Substrate      
Column diameter (mm) 0.250.25 0.250.25
Phase thickness (mum)  0.25  0.25
Tstart (C) 60.50.70.60.30.
Tend (C) 180.230.150.180.180.
Heat rate (K/min) 2.2.5.2.2.
Initial hold (min) 4.4.21.4.2.
Final hold (min)   999.  
I 1017.1035.1024.1017.1035.
ReferenceKawakami, Kobayashi, et al., 1993Shimoda, Shiratsuchi, et al., 1993Herain, MRAVEC, et al., 1991Kawakami and Kobayashi, 1991Takeoka, Flath, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase DB-WaxBP-20
Column length (m) 60.25.
Carrier gas H2 
Substrate   
Column diameter (mm) 0.250.2
Phase thickness (mum) 0.25 
Tstart (C) 30.70.
Tend (C) 180.180.
Heat rate (K/min) 2.3.
Initial hold (min) 2.5.
Final hold (min)   
I 1035.1055.
ReferenceTakeoka, Flath, et al., 1988MacLeod and Snyder, 1985
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Alves, da Penha, et al., 2012
Alves, V.C.C.; da Penha, M.F.A.; Pinto, N. deO.F.; Garruti, D. dosS., Volatile compounds profile of Musa FHIA 02: an option to counter losses by Black Sigatoka, Nat. Prod. J., 2012, 5, 55-60. [all data]

Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S., Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink), Int. Food Res. J., 2012, 19, 2, 583-588. [all data]

Shimadzu, 2012
Shimadzu, Pharmaceutical Related, Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applicationspdf/GC/Pharma/Pharmaceutical residual solvents GC.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]

Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I., SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles, Eur. Food Res. Technol., 2008, 1-12. [all data]

Cros, Vandanjon, et al., 2007
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P., Processing of Industrial Mussel Cooking Juices by Reverse Osmotis: Pollution Abatement and Aromas Recovery, 2007, retrieved from title of Internet file: [imstec064]. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [all data]

Povolo, Contarini, et al., 2007
Povolo, M.; Contarini, G.; Mele, M.; Secchiari, P., Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry, J. Dairy Sci., 2007, 90, 2, 556-569, https://doi.org/10.3168/jds.S0022-0302(07)71539-4 . [all data]

Schirack, Drake, et al., 2006
Schirack, A.V.; Drake, M.A.; Sander, T.H.; Sandeep, K.P., Characterization of aroma-active compounds in microwave blanched peanuts, J. Food Sci., 2006, 71, 9, c513-c520, https://doi.org/10.1111/j.1750-3841.2006.00173.x . [all data]

de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J., Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry, J. Sep. Sci., 2005, 28, 9-10, 1093-1100, https://doi.org/10.1002/jssc.200500018 . [all data]

Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H., Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system, J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p . [all data]

Jiang and Kubota, 2004
Jiang, L.; Kubota, K., Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.), J. Agric. Food Chem., 2004, 52, 13, 4197-4203, https://doi.org/10.1021/jf030663a . [all data]

Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J., Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data, Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012 . [all data]

Cros, Vandanjon, et al., 2003
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P., IMSTEC'03 Conference Proceedings, Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, Universoty of New South Wales, Sydney, Australia, 2003, 6. [all data]

Shimadzu Corporation, 2003
Shimadzu Corporation, Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]

Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K., Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography, Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278 . [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]

Galindo-Cuspinera, Lubran, et al., 2002
Galindo-Cuspinera, V.; Lubran, M.B.; Rankin, S.A., Comparison of volatile compounds in water- and oil-soluble annatto (Bixa orellana L.) extracts, J. Agric. Food Chem., 2002, 50, 7, 2010-2015, https://doi.org/10.1021/jf011325h . [all data]

Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F., Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp, J. Sep. Sci., 2002, 25, 3, 147-154, https://doi.org/10.1002/1615-9314(20020201)25:3<147::AID-JSSC147>3.0.CO;2-G . [all data]

Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C., Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar, J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110 . [all data]

Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S., Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix, Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8 . [all data]

Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C., Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee, J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r . [all data]

Franco and Shibamoto, 2000
Franco, M.R.B.; Shibamoto, T., Volatile composition of some Brazilian fruits: umbu-caja (Spondias citherea), camu-camu (Myrciaria dubia), araca-boi (Eugenia stipitata), and cupuacu (Theobroma grandiflorum), J. Agric. Food Chem., 2000, 48, 4, 1263-1265, https://doi.org/10.1021/jf9900074 . [all data]

Girard and Durance, 2000
Girard, B.; Durance, T., Headspace volatiles of sockeye and pink salmon as affected by retort process, Food Chem. Toxicol., 2000, 65, 1, 34-39. [all data]

Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.), J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738 . [all data]

Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C., Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution, J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I . [all data]

Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T., Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger, J. Agric. Food Chem., 1999, 47, 9, 3702-3705, https://doi.org/10.1021/jf990116i . [all data]

Ding, Deng, et al., 1998
Ding, Q.; Deng, Y.; Sun, Y.; Huagn, A.; Sun, Y., Analysis of volatile components in ox feces by capillary gas chromatography, Beijing Daxue Xuebao Ziran Kexueban, 1998, 34, 6, 720-725. [all data]

Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T., Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide, J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m . [all data]

Mölleken, Sinnwell, et al., 1998
Mölleken, U.; Sinnwell, V.; Kubeczka, K.-H., Essential oil composition of Smyrnium olusatrum, Phytochemistry, 1998, 49, 6, 1709-1714, https://doi.org/10.1016/S0031-9422(98)00195-2 . [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]

Girard and Lau, 1995
Girard, B.; Lau, O.L., Effect of maturity and storage on quality and volatile production of 'Jonagold' apples, Food Res. Int., 1995, 28, 5, 465-471, https://doi.org/10.1016/0963-9969(96)81393-7 . [all data]

Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T., Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system, J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046 . [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds identified in headspace samples of peanut oil heated under temperatures ranging from 50 to 200 °C, J. Agric. Food Chem., 1993, 41, 9, 1467-1470, https://doi.org/10.1021/jf00033a022 . [all data]

Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K., Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process, J. Agric. Food Chem., 1993, 41, 4, 633-636, https://doi.org/10.1021/jf00028a023 . [all data]

Shimoda, Shiratsuchi, et al., 1993
Shimoda, M.; Shiratsuchi, H.; Minegishi, Y.; Osajima, Y., Flavor deterioration of nonfermented coarse-cut sausage during storage. Flavor as a factor of quality for nonfermented sausage. 2, J. Agric. Food Chem., 1993, 41, 6, 946-950, https://doi.org/10.1021/jf00030a021 . [all data]

Herain, MRAVEC, et al., 1991
Herain, J.; MRAVEC, D.; SCHNIERER, A., identification of the components of the reaction mixtures from transalkylation of the waste fraction of diisopropylbenzenes by capillary GC and GC-MS, Chem. Listy, 1991, 85, 5, 535-538. [all data]

Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A., Volatitle constituents of greem mate and roasted mate, J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016 . [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

MacLeod and Snyder, 1985
MacLeod, A.J.; Snyder, C.H., Volatile components of two cultivars of mango from Florida, J. Agric. Food Chem., 1985, 33, 3, 380-384, https://doi.org/10.1021/jf00063a015 . [all data]


Notes

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