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
- 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; β-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, 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 | Polydimethyl siloxane: CP-Sil 5 CB | Petrocol DH | DB-5 | VF-5 MS | VF-5 MS |
| Column length (m) | 60. | 100. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.0 | 0.50 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 20. | 40. | 30. | 30. |
| Tend (C) | 210. | 220. | 250. | 260. | 260. |
| Heat rate (K/min) | 3.6 | 15. | 3. | 2. | 2. |
| Initial hold (min) | 1.45 | 15. | 5. | ||
| Final hold (min) | 2.72 | 30. | 20. | 28. | 28. |
| I | 1007. | 1010. | 1026. | 1020. | 1022. |
| Reference | Bramston-Cook, 2013 | Supelco, 2012 | Cao, Li, et al., 2011 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | DB-5 MS | CP Sil 5 CB | HP-5MS | HP-5MS |
| Column length (m) | 30. | 60. | 25. | 30. | 30. |
| Carrier gas | Helium | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 40. | 80. | 50. | 50. |
| Tend (C) | 260. | 330. | 270. | 280. | 280. |
| Heat rate (K/min) | 2. | 2. | 10. | 5. | 10. |
| Initial hold (min) | 5. | 12. | 4. | 2. | |
| Final hold (min) | 999. | 30. | 10. | ||
| I | 1021. | 1035. | 1013. | 1031. | 1022. |
| Reference | Dayisoylu and Alma, 2009 | Patil, Jayaprakasha, et al., 2009 | Ayoub, Al-Azizi, et al., 2006 | Kim, Abd El-Aty, et al., 2006 | Romanenko and Tkachev, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | SPB-5 | DB-5 | OV-1 | OV-101 |
| Column length (m) | 12. | 60. | 30. | 50. | |
| Carrier gas | He | He | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.20 | |
| Phase thickness (μm) | 0.3 | 0.25 | 1. | 0.50 | |
| Tstart (C) | 70. | 50. | 40. | 50. | 30. |
| Tend (C) | 220. | 240. | 200. | 160. | 100. |
| Heat rate (K/min) | 3. | 5. | 3. | 2. | 1. |
| Initial hold (min) | 3. | 5. | 6. | ||
| Final hold (min) | 10. | ||||
| I | 1008. | 1029. | 1021. | 1008. | 1003. |
| Reference | Kambouche and El-Abed, 2003 | Kim and Lee, 2002 | Meynier, Novelli, et al., 1999 | Orav, Kailas, et al., 1999 | Orav, Kailas, et al., 1999, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | SPB-5 | OV-101 | OV-101 | HP-5 |
| Column length (m) | 60. | 50. | 50. | 50. | 30. |
| Carrier gas | He | He | N2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 60. | 80. | 80. | 35. |
| Tend (C) | 200. | 240. | 200. | 200. | 300. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 10. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 2. | 20. | 10. | ||
| I | 1026. | 1022. | 1012. | 1016. | 1027.1 |
| Reference | Viallon C., Verdier-Metz I., et al., 1999 | Doneanu and Anitescu, 1998 | Tamura, Nakamoto, et al., 1995 | Tamura, Nakamoto, et al., 1995 | Wang and Fingas, 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | CP Sil 5 CB | SE-54 | OV-101 | OV-101 |
| Column length (m) | 60. | 25. | 30. | 54. | 50. |
| Carrier gas | He | He | Hydrogen | Helium | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.26 | 0.25 |
| Phase thickness (μm) | 1.2 | 0.45 | 0.25 | ||
| Tstart (C) | 30. | 0. | 60. | 50. | 70. |
| Tend (C) | 240. | 320. | 250. | 240. | 200. |
| Heat rate (K/min) | 3. | 3. | 2. | 5. | 2. |
| Initial hold (min) | 10. | 5. | 5. | 0. | |
| Final hold (min) | 10. | 2. | 0. | ||
| I | 1025. | 1006. | 1021. | 1006. | 1012. |
| Reference | Ciccioli, Cecinato, et al., 1992 | Hartgers, Damste, et al., 1992 | Kollmannsberger, Nitz, et al., 1992 | Zenkevich and Ventura, 1991 | Sugisawa, Nakamura, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 50. |
| Carrier gas | Nitrogen |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 80. |
| Tend (C) | 200. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1015. |
| Reference | Sugisawa, Nakamura, et al., 1990 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
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
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Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Dayisoylu and Alma, 2009
Dayisoylu, K.S.; Alma, M.H.,
Chemical analysis of essential oils from cone's rosin of Cilician fir (Abies cilicica subsp. cilicica),
Afr. J. Biotechnol., 2009, 8, 15, 3502-3505. [all data]
Patil, Jayaprakasha, et al., 2009
Patil, J.R.; Jayaprakasha, G.K.; Murthy, K.N.C.; Tichy, S.E.; Chetti, M.B.; Patil, B.S.,
Apoptosis-mediated proliferation inhibition of human colon cancer cells by volatile principles of Citrus auratifolia,
Food Chem., 2009, 114, 4, 1351-1358, https://doi.org/10.1016/j.foodchem.2008.11.033
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Ayoub, Al-Azizi, et al., 2006
Ayoub, N.; Al-Azizi, M.; König, W.; Kubeczka, K.-H.,
Essential oils and a novel polyacetylene from Eryngium yuccifolium Michaux. (Apiaceae),
Flavour Fragr. J., 2006, 21, 6, 864-868, https://doi.org/10.1002/ffj.1631
. [all data]
Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H.,
Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis,
J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060
. [all data]
Romanenko and Tkachev, 2006
Romanenko, E.P.; Tkachev, A.V.,
Identification by GC-MS of cymene isomers and 3,7,7-trimethylcyclohepta-1,3,5-triene in essential oils,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 6, 699-701, https://doi.org/10.1007/s10600-006-0256-6
. [all data]
Kambouche and El-Abed, 2003
Kambouche, N.; El-Abed, D.,
Composition of the volatile oil from the aerial parts of Trachyspermum ammi (L.) Sprague from Oran (Algeria),
J. Essent. Oil Res., 2003, 15, 1, 39-40, https://doi.org/10.1080/10412905.2003.9712259
. [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
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Meynier, Novelli, et al., 1999
Meynier, A.; Novelli, E.; Chissolinim, R.; Zanardi, E.; Gandemer, G.,
Volatile compounds of commercial Milano salami,
Meat Sci., 1999, 51, 2, 175-183, https://doi.org/10.1016/S0309-1740(98)00122-3
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Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]
Orav, Kailas, et al., 1999, 2
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]
Viallon C., Verdier-Metz I., et al., 1999
Viallon C.; Verdier-Metz I.; Denoyer C.; Pradel P.; Coulon J.B.; Berdague J.L.,
Desorbed terpenes and sesquiterpenes from forages and cheeses,
J. Dairy Res., 1999, 66, 2, 319-326, https://doi.org/10.1017/S0022029999003520
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Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G.,
Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5
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Tamura, Nakamoto, et al., 1995
Tamura, H.; Nakamoto, H.; Yang, R.-H.; Sugisawa, H.,
Characteristic aroma compounds in green algae (Ulva pertusa) volatiles,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1995, 42, 11, 887-891, https://doi.org/10.3136/nskkk.42.887
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Wang and Fingas, 1995
Wang, Z.; Fingas, M.,
Differentiation of the source of spilled oil and monitoring of the oil weathering process using gas chromatography-mass spectrometry,
J. Chromatogr. A, 1995, 712, 2, 321-343, https://doi.org/10.1016/0021-9673(95)00546-Y
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Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205
. [all data]
Hartgers, Damste, et al., 1992
Hartgers, W.A.; Damste, J.S.S.; de Leeuw, J.W.,
Identification of C2-C4 alkylated benzenes in flash pyrolysates of kerogens, coals and asphaltenes,
J. Chromatogr., 1992, 606, 2, 211-220, https://doi.org/10.1016/0021-9673(92)87027-6
. [all data]
Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F.,
UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok),
Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481
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Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K.,
Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen,
Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [all data]
Sugisawa, Nakamura, et al., 1990
Sugisawa, H.; Nakamura, K.; Tamura, H.,
The aroma profile of the volatile in marine green algae (Ulva pertusa),
Food Reviews International, 1990, 6, 4, 573-589, https://doi.org/10.1080/87559129009540893
. [all data]
Notes
Go To: Top, Normal alkane 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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