Benzene, 1,3-dimethyl-
- Formula: C8H10
- Molecular weight: 106.1650
- IUPAC Standard InChIKey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
- CAS Registry Number: 108-38-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: m-Xylene; m-Dimethylbenzene; m-Xylol; 1,3-Dimethylbenzene; 1,3-Xylene; 2,4-Xylene; m-Methyltoluene; meta-Xylene; NSC 61769; UN 1307; 1,3-dimethylbenzene (m-xylene)
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Van Den Dool and Kratz 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 | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5 | DB-Petro | DB-Petro | CP Sil 8 CB |
Column length (m) | 60. | 60. | 50. | 50. | 50. |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.2 | 0.2 | 0.32 |
Phase thickness (μm) | 1. | 1. | 0.5 | 0.5 | |
Tstart (C) | 40. | 40. | 50. | 50. | 60. |
Tend (C) | 230. | 260. | 270. | 270. | 220. |
Heat rate (K/min) | 3. | 4. | 2. | 2. | 4. |
Initial hold (min) | 2. | 2. | 5. | ||
Final hold (min) | 10. | 10. | 30. | ||
I | 874. | 875. | 853.2 | 853.2 | 863. |
Reference | Engel and Ratel, 2007 | Methven L., Tsoukka M., et al., 2007 | Pang T., Zhu S., et al., 2007 | Pang T., Zhu S., et al., 2007 | Mahadevan and Farmer, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | Petrocol DH | DB-5 | CP Sil 5 CB | DB-5 |
Column length (m) | 0. | 50. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 35. | 60. | 60. | 40. |
Tend (C) | 280. | 200. | 240. | 280. | 310. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 2. |
Initial hold (min) | 2. | 10. | 10. | ||
Final hold (min) | 5. | 10. | 60. | ||
I | 871. | 859.4 | 898. | 838. | 861.7 |
Reference | Elmore, Cooper, et al., 2005 | Censullo, Jones, et al., 2003 | Flamini, Luigi Cioni, et al., 2003 | Pino, Almora, et al., 2003 | Song, Lai, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-1 | DB-5 | CP Sil 8 CB |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 0.25 |
Tstart (C) | 40. | 40. | 40. | 50. | 40. |
Tend (C) | 310. | 310. | 325. | 200. | 250. |
Heat rate (K/min) | 4. | 6. | 3. | 2.5 | 4. |
Initial hold (min) | 8. | ||||
Final hold (min) | 10. | ||||
I | 864.4 | 866.5 | 848.2 | 877.8 | 871. |
Reference | Song, Lai, et al., 2003 | Song, Lai, et al., 2003 | Sun and Stremple, 2003 | Xu, van Stee, et al., 2003 | Oruna-Concha, Ames, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | HP-5 | CP Sil 5 CB | CP Sil 5 CB | OV-101 |
Column length (m) | 50. | 30. | 50. | 50. | 80. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.22 |
Phase thickness (μm) | 0.4 | 0.25 | 0.4 | 0.4 | |
Tstart (C) | 60. | 40. | 60. | 60. | 30. |
Tend (C) | 280. | 180. | 280. | 280. | 130. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 1. |
Initial hold (min) | 10. | 10. | 10. | ||
Final hold (min) | 60. | 60. | 60. | ||
I | 849. | 868. | 847. | 847. | 855.5 |
Reference | Pino, Marbot, et al., 2002 | Isidorov, Krajewska, et al., 2001 | Pino and Marbot, 2001 | Pino, Marbot, et al., 2001 | Yin, Liu, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-54 | CP Sil 8 CB | SPB-5 | PONA |
Column length (m) | 25. | 25. | 50. | 60. | 50. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.31 | 0.31 | 0.32 | 0.32 | 0.2 |
Phase thickness (μm) | 1. | 0.5 | |||
Tstart (C) | 35. | 35. | 60. | 40. | 35. |
Tend (C) | 230. | 230. | 220. | 200. | 220. |
Heat rate (K/min) | 4. | 4. | 4. | 3. | 1. |
Initial hold (min) | 3. | 3. | 5. | 5. | 0.5 |
Final hold (min) | 10. | 10. | 30. | 2. | 8. |
I | 890.21 | 892.69 | 862. | 865. | 844.6 |
Reference | Yin, Xiu, et al., 2001 | Yin, Xiu, et al., 2001 | Chevance and Farmer, 1999 | Verdier-Metz., Coulon, et al., 1998 | Martos, Saraullo, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PONA | OV-1 | DB-1 | DB-5 | DB-5 |
Column length (m) | 50. | 30. | 60. | 30. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.33 | 0.25 | |
Phase thickness (μm) | 0.5 | 1. | 0.25 | 0.25 | |
Tstart (C) | 35. | 35. | -50. | -50. | 40. |
Tend (C) | 220. | 300. | 180. | 180. | 310. |
Heat rate (K/min) | 1. | 8. | 6. | 6. | 2. |
Initial hold (min) | 0.5 | ||||
Final hold (min) | 8. | ||||
I | 850.2 | 853.8 | 855.4 | 869.3 | 861.7 |
Reference | Martos, Saraullo, et al., 1997 | Gautzsch and Zinn, 1996 | Helmig, Pollock, et al., 1996 | Helmig, Pollock, et al., 1996 | Lai and Song, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | Petrocol DH | Petrocol DH | Ultra-1 |
Column length (m) | 30. | 30. | 100. | 100. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | |
Tstart (C) | 40. | 40. | 30. | 30. | -40. |
Tend (C) | 310. | 310. | 220. | 220. | 230. |
Heat rate (K/min) | 4. | 6. | 1. | 1. | 4. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 864.4 | 866.5 | 852.91 | 853.44 | 854. |
Reference | Lai and Song, 1995 | Lai and Song, 1995 | Subramaniam, Bochniak, et al., 1994 | Subramaniam, Bochniak, et al., 1994 | Olson, Sinkevitch, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Petrocol DH | Petrocol DH | Petrocol DH | DB-5 | OV-101 |
Column length (m) | 100. | 100. | 100. | 15. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.53 | 0.25 |
Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 1.5 | |
Tstart (C) | 30. | 30. | 30. | 40. | 70. |
Tend (C) | 220. | 220. | 220. | 90. | |
Heat rate (K/min) | 1. | 1. | 1. | 4. | 8. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 853.38 | 853.85 | 853. | 863. | 861. |
Reference | White, Douglas, et al., 1992 | White, Douglas, et al., 1992 | White, Hackett, et al., 1992 | Morinaga, Hara, et al., 1990 | Golovnya, Samusenko, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Ultra-1 | Ultra-1 | Ultra-1 | Ultra-1 | Ultra-2 |
Column length (m) | 50. | 50. | 50. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.22 | 0.22 | 0.22 | 0.22 |
Phase thickness (μm) | 0.33 | 0.33 | 0.33 | 0.33 | 0.33 |
Tstart (C) | 0. | -30. | -30. | -30. | -30. |
Tend (C) | 240. | 240. | 240. | 240. | 240. |
Heat rate (K/min) | 2. | 1. | 2. | 3. | 1. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 853.96 | 850.24 | 852.98 | 854.72 | 865.16 |
Reference | Steward and Pitzer, 1988 | Haynes and Pitzer, 1985 | Haynes and Pitzer, 1985 | Haynes and Pitzer, 1985 | Haynes and Pitzer, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Ultra-2 | Ultra-2 | OV-101 |
Column length (m) | 50. | 50. | 108. |
Carrier gas | He | He | |
Substrate | |||
Column diameter (mm) | 0.22 | 0.22 | 0.25 |
Phase thickness (μm) | 0.33 | 0.33 | 0.2 |
Tstart (C) | -30. | -30. | 35. |
Tend (C) | 240. | 240. | 200. |
Heat rate (K/min) | 2. | 3. | 1. |
Initial hold (min) | |||
Final hold (min) | |||
I | 868.16 | 870.12 | 852. |
Reference | Haynes and Pitzer, 1985 | Haynes and Pitzer, 1985 | Hayes and Pitzer, 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
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Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S.,
Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar),
J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611
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Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G.,
Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography,
J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471
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Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
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Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
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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,
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Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Volatiles from leaves, fruits, and virgin oil from Olea europaea Cv. Olivastra Seggianese from Italy,
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Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
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Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B.,
Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils
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Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J.,
Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere,
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Oruna-Concha, Ames, et al., 2002
Oruna-Concha, M.J.; Ames, J.M.; Bakker, J.,
Comparison of the volatile components of eight cultivars of potato after microwave baking,
Lebensm. Wiss. Technol., 2002, 35, 1, 80-86, https://doi.org/10.1006/fstl.2001.0819
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
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Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A.,
Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system,
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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
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Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
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Yin, Liu, et al., 2001
Yin, C.; Liu, W.; Li, Z.; Pan, Z.; Lin, T.; Zhang, M.,
Chemometrics to chemical modeling: structural coding in hydrocarbons and retention indices of gas chromatography,
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Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H.,
Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry,
Fenxi Huaxue, 2001, 29, 2, 195-198. [all data]
Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
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Verdier-Metz., Coulon, et al., 1998
Verdier-Metz., I.; Coulon, J.-B.; PPradel, P.; Viallon, C.; Berdague, J.-L.,
Effect of forage conservation (hay or silage) and cow breed on the coagulation properties of milks and on the characteristics of ripened cheeses,
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Martos, Saraullo, et al., 1997
Martos, P.A.; Saraullo, A.; Pawliszyn, J.,
Estimation of air/coating distribution coefficients for solid phase microextraction using retention indexes from linear temperature-programmed capillary gas chromatography. Application to the sampling and analysis of total petroleum hydrocarbons in air,
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Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
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Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P.,
Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii,
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Lai and Song, 1995
Lai, W.-C.; Song, C.,
Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels,
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Subramaniam, B.; Bochniak, D.; Snavely, K.,
Fischer-Tropsch synthesis in supercritical reaction media, Lawrence Department of Chemical and Petroleum Engineering (DOE/PC/92532--T7), United States Department of Energy, Pittsburgh, PA, 1994, 8, retrieved from http://www.NTIS.gov. [all data]
Olson, Sinkevitch, et al., 1992
Olson, K.L.; Sinkevitch, R.M.; Sloane, T.M.,
Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust,
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White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R.,
Characterization of synthetic gasoline from the chloromethane-zeolite reaction,
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White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
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Morinaga, Hara, et al., 1990
Morinaga, M.; Hara, K.; Kageura, M.; Heida, Y.; Takamoto, M.; Kashimura, S.,
A simple, rapid and simultaneous analysis of complex volatile hydrocarbon mixtures in blood using gas chromatography/mass spectrometry with a wide-bore capillary column,
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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,
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Steward and Pitzer, 1988
Steward, E.M.; Pitzer, E.W.,
Gas Chromatographic Analyses of Complex Hydrocarbon Mixtures Void of n-Paraffin Retention Index Markers Using Joint Mass Spectral and Retention Index Libraries,
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Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W.,
Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates,
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Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W.,
Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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