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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Normal alkane RI, polar column, custom temperature program
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 | SOLGel-Wax | SOLGel-Wax | Supelko CO Wax | Supelko CO Wax | Supelko CO Wax |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) | not specified | 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) | not specified | |
I | 1144. | 1132. | 1135. | 1131. | 1133. |
Reference | Johanningsmeier and McFeeters, 2011 | Johanningsmeier and McFeeters, 2011 | Vekiari, Orepoulou, et al., 2010 | Vekiari, Orepoulou, et al., 2010 | Vekiari, Orepoulou, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | DB-FFAP | Supelcowax 10 | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | 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 | 0.25 | 0.25 |
Program | 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C | not specified | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
I | 1135. | 1132. | 1146. | 1132. | 1136. |
Reference | Mebazaa, Mahmoudi, et al., 2009 | Mebazaa, Mahmoudi, et al., 2009 | Soria, Martinez-Castro, et al., 2008 | Berard, Bianchi, et al., 2007 | Berard, Bianchi, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | HP-Innowax | HP-Innowax | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | 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 | 0.25 | 0.25 |
Program | 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min) | 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min) | 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min) | 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) | 40C(3min) => 4C/min => 75C => 8C/min => 250C |
I | 1121. | 1158. | 1161. | 1135. | 1118. |
Reference | Narain, Galvao, et al., 2007 | Narain, Galvao, et al., 2007, 2 | Narain, Galvao, et al., 2007, 2 | Vichi, Guadayol, et al., 2007 | Vichi, Pizzale, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Supelcowax-10 | Carbowax 20M | DB-Wax |
Column length (m) | 60. | 30. | |||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.53 | |||
Phase thickness (μm) | 0.25 | 1.0 | |||
Program | not specified | not specified | 40C (7min) => 4C/min => 150C => 8C/min => 240C (10min) | not specified | 40 0C (4 min) 4 0C/min -> 200 0C (20 min) |
I | 1147. | 1145. | 1137. | 1124. | 1164. |
Reference | Vinogradov, 2004 | Cornwell and Cordano, 2003 | Kim and Lee, 2002 | Ivanciuc, Ivanciuc, et al., 2001 | Peng, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | CP-Wax 52CB | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 50. | ||||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | ||||
Phase thickness (μm) | 1.5 | ||||
Program | not specified | 40C => 2C/min => 150C => 10C/min => 250C | not specified | not specified | not specified |
I | 1145. | 1138. | 1164. | 1130. | 1147. |
Reference | Xiuhua, Zhang, et al., 1996 | Luning, de Rijk, et al., 1994 | Peng, Yang, et al., 1991 | Dimov and Mekenyan, 1989 | Shibamoto, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 20M | Polyethylene Glycol |
Column length (m) | 50. | ||
Carrier gas | Hydrogen | ||
Substrate | |||
Column diameter (mm) | 0.32 | ||
Phase thickness (μm) | |||
Program | not specified | not specified | not specified |
I | 1131. | 1147. | 1150. |
Reference | Waggott and Davies, 1984 | Ramsey and Flanagan, 1982 | MacLeod and Pieris, 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F.,
Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS),
J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x
. [all data]
Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D.,
Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece,
Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709
. [all data]
Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V.,
Characterization of volatile compounds in Tunisian fenugreek seeds,
Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066
. [all data]
Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J.,
Some aspects of dynamic headspace analysis of volatile components in honey,
Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010
. [all data]
Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M.,
Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese,
Food Chem., 2007, 105, 1, 293-300, https://doi.org/10.1016/j.foodchem.2006.11.041
. [all data]
Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F.,
Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit,
BioEng. Campinas, 2007, 1, 1, 25-31. [all data]
Narain, Galvao, et al., 2007, 2
Narain, N.; Galvao, M.S.; Madruga, M.S.,
Volatile compounds captured through purge and trap technique in caja-umbu (Spondias sp.) fruits during maturation,
Food Chem., 2007, 102, 3, 726-731, https://doi.org/10.1016/j.foodchem.2006.06.003
. [all data]
Vichi, Guadayol, et al., 2007
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S.,
Analytical, Nutritional, and Clinical Methods. Comparative study of different extraction techniques for the analysis of virgin olive oil aroma,
Food Chem., 2007, 105, 3, 1171-1178, https://doi.org/10.1016/j.foodchem.2007.02.018
. [all data]
Vichi, Pizzale, et al., 2005
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; L´opez-Tamames, E.,
Simultaneous determination of volatile and semi-volatile aromatic hydrocarbons in virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry,
J. Chromatogr. A, 2005, 1090, 1-2, 146-154, https://doi.org/10.1016/j.chroma.2005.07.007
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G.,
Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas,
Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [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]
Ivanciuc, Ivanciuc, et al., 2001
Ivanciuc, O.; Ivanciuc, T.; Klein, D.J.; Seitz, W.A.; Balaban, A.T.,
Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors,
SAR QSAR Environ. Res., 2001, 11, 5-6, 419-452, https://doi.org/10.1080/10629360108035362
. [all data]
Peng, 1996
Peng, C.T.,
Gas chromatographic identification of aromatic hydrocarbons
in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]
Xiuhua, Zhang, et al., 1996
Xiuhua, Zh.; Zhang, L.; Che, X.,
Prediction of the Kovats retention indexes of polysubstituted alkylbenzenes,
Chin. J. Chromatogr., 1996, 14, 4, 244-248. [all data]
Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P.,
Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov.,
Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity,
J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5
. [all data]
MacLeod and Pieris, 1981
MacLeod, A.J.; Pieris, N.M.,
Volatile flavor components of beli fruit (Aegle marmelos) and a processed product,
J. Agric. Food Chem., 1981, 29, 6, 1262-1264, https://doi.org/10.1021/jf00108a040
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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