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, 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 | DB-Wax | DB-FFAP | DB-Wax | HP-Innowax | BP-20 |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | Helium | Helium | Hydrogen | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.20 | 0.25 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.20 | 0.25 |
Tstart (C) | 40. | 40. | 30. | 45. | 70. |
Tend (C) | 260. | 230. | 230. | 190. | 220. |
Heat rate (K/min) | 4. | 8. | 8. | 4. | 4. |
Initial hold (min) | 2. | 5. | 2. | 4. | |
Final hold (min) | 5. | 10. | 50. | 5. | |
I | 1160. | 1120. | 1136. | 1146. | 1156. |
Reference | Shimadzu, 2012 | Czerny, Brueckner, et al., 2011 | Karlsson, Birgersson, et al., 2009 | Soria, Sanz, et al., 2008 | Rawat, Gulati, 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 | DB-Wax | DB-Wax | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 30. | 30. | 40. | 40. |
Tend (C) | 190. | 250. | 250. | 200. | 200. |
Heat rate (K/min) | 4. | 4. | 4. | 3. | 3. |
Initial hold (min) | 2. | 1. | 1. | 10. | 10. |
Final hold (min) | 50. | ||||
I | 1121. | 1134. | 1135. | 1133. | 1126. |
Reference | Soria, Gonzalez, et al., 2004 | Tanaka, Yamauchi, et al., 2003 | Tanaka, Yamauchi, et al., 2003 | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Wax | DB-Wax | Supelcowax-10 | DB-Wax | Carbowax 20M |
Column length (m) | 60. | 30. | 60. | 60. | 25. |
Carrier gas | He | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.3 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 25. | 35. | 40. | 60. |
Tend (C) | 190. | 220. | 200. | 200. | 190. |
Heat rate (K/min) | 3. | 4. | 4. | 2. | 5. |
Initial hold (min) | 6. | 10. | 2. | 2. | |
Final hold (min) | 30. | 20. | |||
I | 1149. | 1132. | 1148. | 1137. | 1124. |
Reference | Sanz, Maeztu, et al., 2002 | Duque, Bonilla, et al., 2001 | Girard and Durance, 2000 | Umano, Hagi, et al., 2000 | Xue, Ye, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax | BP-20 |
Column length (m) | 60. | 60. | 60. | 25. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.2 | |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 50. | 70. | 50. | 50. | 70. |
Tend (C) | 230. | 150. | 230. | 230. | 180. |
Heat rate (K/min) | 2. | 5. | 4. | 4. | 3. |
Initial hold (min) | 4. | 21. | 5. | ||
Final hold (min) | 999. | 10. | 10. | ||
I | 1138. | 1121. | 1138. | 1138. | 1147. |
Reference | Shimoda, Shiratsuchi, et al., 1993 | Herain, MRAVEC, et al., 1991 | Binder, Benson, et al., 1990 | Binder, Turner, et al., 1990 | MacLeod and Snyder, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
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]
Karlsson, Birgersson, et al., 2009
Karlsson, M.F.; Birgersson, G.; Prado, A.M.C.; Bosa, F.; Bengtsson, M.; Witzgall, P.,
Plant Odor Analysis of Potato: Responce of Guatemalan Moth to Above- and Background Potato Volatiles,
J. Agric. Food Chem., 2009, 57, 13, 5903-5909, https://doi.org/10.1021/jf803730h
. [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]
Rawat, Gulati, et al., 2007
Rawat, R.; Gulati, A.; Babu, G.D.K.; Acharya, R.; Kaul, V.K.; Singh, B.,
Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry,
Food Chem., 2007, 105, 1, 229-235, https://doi.org/10.1016/j.foodchem.2007.03.071
. [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]
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]
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]
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]
Xue, Ye, et al., 2000
Xue, C.; Ye, M.; Li, Z.; Cai, Y.; Tan, L.; Lin, H.; Sakaguchi, M.,
Changes in the volatile compounds of Yellowtail (Seriola aureovitata) during refrigerated storage,
Asian Fisheries Sciences, 2000, 13, 263-270. [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]
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]
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
- 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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