Benzene, 1-methyl-3-(1-methylethyl)-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI:
- InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
- Download the identifier in a file.
- IUPAC Standard InChIKey: XCYJPXQACVEIOS-UHFFFAOYSA-N
- CAS Registry Number: 535-77-3
- 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-Cymene; «beta»-Cymene; m-Cymol; m-Isopropyltoluene; m-Methylisopropylbenzene; 1-Isopropyl-3-methylbenzene; 1-Methyl-3-isopropylbenzene; 1-Methyl-3-(1-methylethyl)-benzene; 3-Methyl-1-isopropylbenzene; meta-Cymene; 3-Isopropyltoluene; NSC 73975
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Normal alkane RI, non-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 | DB-5 | Nonpolar | DB-5 MS | CP-Sil5 CB MS | |
Column length (m) | 30. | 60. | 50. | ||
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | ||
Phase thickness (![]() |
0.25 | 1.0 | 1.2 | ||
Program | not specified | not specified | not specified | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) |
I | 1026. | 1037. | 1030. | 1025. | 1010. |
Reference | Cao, Li, et al., 2011 | Karimi, Farmany, et al., 2011 | Staples and Zeiger, 2008 | Liu, Xu, et al., 2007 | Iraqi, Vermeulen, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | CP Sil 8 CB | HP-5MS | Methyl Silicone | DB-1 |
Column length (m) | 50. | 30. | 60. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | ||
Phase thickness (![]() |
0.25 | 0.25 | |||
Program | not specified | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C(2min) | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) | not specified | not specified |
I | 1013. | 1026. | 1023. | 1010. | 1007. |
Reference | Vinogradov, 2004 | Mockute and Judzentiene, 2002 | Ansorena, Gimeno, et al., 2001 | Spieksma, 1999 | Ciccioli, Cecinato, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-101 | Squalane |
Column length (m) | ||
Carrier gas | ||
Substrate | ||
Column diameter (mm) | ||
Phase thickness (![]() |
||
Program | not specified | not specified |
I | 1010. | 1002.8 |
Reference | Dimov, Osman, et al., 1994 | Dimov and Mekenyan, 1989 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379
. [all data]
Karimi, Farmany, et al., 2011
Karimi, H.; Farmany, A.; Noorizadeh, H.,
Prediction of linear retention index of Teucrium chamaedrys volatiles in GCxGC-TOF/MS by linear model,
World Appl. Sci. J., 2011, 15, 8, 1086-1088. [all data]
Staples and Zeiger, 2008
Staples, E.; Zeiger, K.,
On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]
Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H.,
Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques,
Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x
. [all data]
Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S.,
Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis,
J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Mockute and Judzentiene, 2002
Mockute, D.; Judzentiene, A.,
Chemical composition of the essential oils of Achillea millefolium L. ssp. millefolium (yarrow) growing wild in Vilnius,
Chemija, 2002, 13, 2, 97-102. [all data]
Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J.,
Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona,
Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2
. [all data]
Spieksma, 1999
Spieksma, W.,
Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool,
J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2
. [all data]
Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
Eur Commission EUR, 1994, 549-568. [all data]
Dimov, Osman, et al., 1994
Dimov, N.; Osman, A.; Mekenyan, Ov.; Papazova, D.,
Selection of moelcular descriptors used in quantitative structure-gas chromatographic retention relationships. I. Application to alkylbenzenes and naphthalenes,
Anal. Chim. Acta., 1994, 298, 3, 303-317, https://doi.org/10.1016/0003-2670(94)00280-0
. [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]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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