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Benzene, 1,3-dimethyl-

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Van Den Dool and Kratz RI, polar column, temperature ramp

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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 52CBDB-WaxSupelcowax-10CarbowaxAT-Wax
Column length (m) 50.30.60.60.60.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (mum)  0.250.250.50.25
Tstart (C) 60.50.40.50.65.
Tend (C) 220.220.280.250.250.
Heat rate (K/min) 4.4.4.5.2.
Initial hold (min) 5.4.2.10.10.
Final hold (min) 30.20. 10.60.
I 1123.1140.1149.1161.1129.
ReferenceMahadevan and Farmer, 2006Osorio, Alarcon, et al., 2006Elmore, Nisyrios, et al., 2005Censullo, Jones, et al., 2003Pino, Almora, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10AT-WaxSupelcowax-10EC-WAXAT-Wax
Column length (m) 60.60.60.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.320.32
Phase thickness (mum) 0.250.250.250.50.25
Tstart (C) 35.65.35.40.65.
Tend (C) 195.250.195.250.250.
Heat rate (K/min) 2.2.2.5.2.
Initial hold (min) 5.10.5.2.10.
Final hold (min) 90.60.90.10.60.
I 1143.1132.1143.1150.1131.
ReferenceChung, Yung, et al., 2002Pino, Marbot, et al., 2002Chung, Yung, et al., 2001le Guen, Prost, et al., 2001Pino and Marbot, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase AT-WaxDB-WaxDB-WaxDB-WaxCP-Wax 52CB
Column length (m) 60.60.60.60.50.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.250.50.50.5 
Tstart (C) 65.40.40.40.60.
Tend (C) 250.250.250.250.220.
Heat rate (K/min) 2.3.4.4.4.
Initial hold (min) 10.5.2.2.5.
Final hold (min) 60.10.10.10.30.
I 1132.1148.1146.1150.1129.
ReferencePino, Marbot, et al., 2001le Guen, Prost, et al., 2000Le Guen, Prost, et al., 2000Le Guen, Prost, et al., 2000Chevance and Farmer, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBSupelcowax-10DB-WaxFFAPDB-Wax
Column length (m) 50.60.60.30.60.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum)  0.250.250.250.25
Tstart (C) 60.35.40.20.50.
Tend (C) 220.195.200.200.230.
Heat rate (K/min) 4.2.3.4.2.
Initial hold (min) 5.5.5.1. 
Final hold (min) 30.90.60.1.60.
I 1129.1144.1136.1142.1149.
ReferenceChevance and Farmer, 1999, 2Chung, 1999Cha, Kim, et al., 1998Ott, Fay, et al., 1997Shimoda, Shiratsuchi, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.60.60.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.25 
Tstart (C) 50.50.50.50.40.
Tend (C) 230.230.230.230.200.
Heat rate (K/min) 3.2.2.2.3.
Initial hold (min)     5.
Final hold (min)    60. 
I 1142.1134.1134.1158.1141.
ReferenceShimoda, Wu, et al., 1996Shimoda, Shigematsu, et al., 1995Shimoda, Shigematsu, et al., 1995, 2Shiratsuchi, Shimoda, et al., 1994Sumitani, Suekane, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10DB-WaxCP-Wax 52CBDB-WaxSupelcowax-10
Column length (m) 60.60.50.30.60.
Carrier gas He H2He 
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (mum) 0.250.25 0.250.25
Tstart (C) 40.50.50.40.40.
Tend (C) 195.230.200.220.175.
Heat rate (K/min) 2.2.1.55.2.
Initial hold (min) 5.4.10.3.5.
Final hold (min) 40.30.80. 20.
I 1141.1138.1099.1123.1143.
ReferenceChung and Cadwallader, 1993Shiratsuchi, Shimoda, et al., 1993Wu and Liou, 1992Frohlich and Schreier, 1990Matiella and Hsieh, 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxSupelcowax-10Supelcowax-10PEG-40M
Column length (m) 30.30.60.60.25.
Carrier gas HeHe  He
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.80
Tstart (C) 50.50.40.40.70.
Tend (C) 250.250.175.175. 
Heat rate (K/min) 4.4.2.2.8.
Initial hold (min) 3.3.5.5. 
Final hold (min)   20.20. 
I 1116.1118.1144.1147.1162.
ReferenceFröhlich, Duque, et al., 1989Fröhlich, Duque, et al., 1989Tanchotikul and Hsieh, 1989Tanchotikul and Hsieh, 1989Golovnya, Samusenko, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Supelcowax-10Supelcowax-10
Column length (m) 60.60.
Carrier gas   
Substrate   
Column diameter (mm) 0.250.25
Phase thickness (mum) 0.250.25
Tstart (C) 40.40.
Tend (C) 175.175.
Heat rate (K/min) 2.2.
Initial hold (min) 5.5.
Final hold (min) 20.20.
I 1142.1143.
ReferenceVejaphan, Hsieh, et al., 1988Vejaphan, Hsieh, et al., 1988
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S., Analysis of the headspace aroma compounds of walnuts (Juglans regia L.), Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477 . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S., Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods, J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a . [all data]

le Guen, Prost, et al., 2001
le Guen, S.; Prost, C.; Demaimay, M., Evaluation of the representativeness of the odor of cooked mussel extracts and the relationship between sensory descriptors and potent odorants, J. Agric. Food Chem., 2001, 49, 3, 1321-1327, https://doi.org/10.1021/jf000781n . [all data]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

le Guen, Prost, et al., 2000
le Guen, S.; Prost, C.; Demaimay, M., Critical comparison of three olfactometric methods for the identification of the most potent odorants in cooked mussels (Mytilus edulis), J. Agric. Food Chem., 2000, 48, 4, 1307-1314, https://doi.org/10.1021/jf990745s . [all data]

Le Guen, Prost, et al., 2000
Le Guen, S.; Prost, C.; Demaimay, M., Characterization of odorant compounds of mussels (Mytilus edulis) according to their origin using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 896, 1-2, 361-371, https://doi.org/10.1016/S0021-9673(00)00729-9 . [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J., Release of volatile odor compounds from full-fat and reduced-fat frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166 . [all data]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y., Identification and sensory characterization of volatile flavor compounds in sesame seed oil, J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f . [all data]

Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y., Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography, J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168 . [all data]

Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion, J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037 . [all data]

Shimoda, Shigematsu, et al., 1995, 2
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of volatile compounds among different grades of green tea and their relations to odor attributes, J. Agric. Food Chem., 1995, 43, 6, 1621-1625, https://doi.org/10.1021/jf00054a038 . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K., Changes in composition of volatile compounds in high pressure treated peach, J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037 . [all data]

Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R., Volatile components in blue crab (Callinectes sapidus) meat and processing by-product, J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x . [all data]

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [all data]

Wu and Liou, 1992
Wu, C.-M.; Liou, S.-E., Volatile components of water-boiled duck meat and Cantonese style roasted duck, J. Agric. Food Chem., 1992, 40, 5, 838-841, https://doi.org/10.1021/jf00017a026 . [all data]

Frohlich and Schreier, 1990
Frohlich, O.; Schreier, P., Volatile Constituents of Loquat (Eriobotrya japonica Lindl.) Fruit, J. Food Sci., 1990, 55, 1, 176-180, https://doi.org/10.1111/j.1365-2621.1990.tb06046.x . [all data]

Matiella and Hsieh, 1990
Matiella, J.E.; Hsieh, T.C.-Y., Analysis of crabmeat volatile compounds, J. Food Sci., 1990, 55, 4, 962-966, https://doi.org/10.1111/j.1365-2621.1990.tb01575.x . [all data]

Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P., Volatile constituents of curuba (Passiflora mollissima) fruit, J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033 . [all data]

Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y., Volatile Flavor Components in Crayfish Waste, J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x . [all data]

Golovnya, Samusenko, et al., 1988
Golovnya, R.V.; Samusenko, A.L.; Lyapin, V.A., Prediction of linear temperature programmed retention indices of methylpyridines in capillary gas chromatography, Zh. Anal. Khim., 1988, 63, 2, 311-317. [all data]

Vejaphan, Hsieh, et al., 1988
Vejaphan, W.; Hsieh, T.C.Y.; Williams, S.S., Volatile flavor components from boiled crayfish (Procambarus clarkii) tail meat, J. Food Sci., 1988, 53, 6, 1666-1670, https://doi.org/10.1111/j.1365-2621.1988.tb07811.x . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References