Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1α,2β,4β)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: OPFTUNCRGUEPRZ-QLFBSQMISA-N
- CAS Registry Number: 515-13-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)- (-)-; β-Elemene, (-)-; (-)-β-Elemene; β-Elemen; levo-β-Elemene; β-Elemene; β-Elemene enantiomer; 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane, [1S-(1α,2β,4β)]-; 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane; 1S-1α,2β,4β-1-Ethenyl-1-methyl-2,4-bis-(1-methylethenyl)cyclohexane; Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-; beta elemene
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Kovats' 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 | BP-1 | BP-1 | BP-1 | BP-1 | OV-1 |
Column length (m) | 25. | 25. | 25. | 30. | 15. |
Carrier gas | N2 | N2 | N2 | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.317 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) | 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min) | 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) | 60C => 5.5C/min => 220C => 3.5C/min => 245C | 50C(4min) => (4C/min) => 90C => (10C/min)=300C(10min) |
I | 1386. | 1391. | 1383. | 1378. | 1381. |
Reference | Dwivedi, Khan, et al., 2004 | Khan, Srivastava, et al., 2003 | Raina, Srivastava, et al., 2003 | Rao, Kaul, et al., 2003 | El-Shazly, Dorai, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | HP-5 | AT-5 | DB-5 | BP-1 |
Column length (m) | 30. | 30. | 60. | 30. | 25. |
Carrier gas | N2 | H2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.26 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 60 C 5 C/min -> 220 C (5 min) 3 C/min -> 245 C (5 min) | 60 0C (8 min) 3 K/min -> 180 0C 20 K/min (20 min) | 60 C 4K/min -> 200 C 10 K/min -> 280 C | not specified | not specified |
I | 1391. | 1405. | 1391. | 1391. | 1400. |
Reference | Khan, Srivastava, et al., 2002 | Frizzo, Serafini, et al., 2001 | Khouri, Usubillaga, et al., 2000 | Adams, 1998 | MacLeod, MacLeod, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | SF-96 | SF-96 |
Column length (m) | 127. | 150. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | 0.75 | 0.75 |
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 1404. | 1400. |
Reference | Okamoto, Ellison, et al., 1981 | Malingré and Maarse, 1974 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Dwivedi, Khan, et al., 2004
Dwivedi, S.; Khan, M.; Srivastava, S.K.; Syamasunnder, K.V.; Srivastava, A.,
Essential oil composition of different accessions of Mentha × piperita L. grown on the northern plains of India,
Flavour Fragr. J., 2004, 19, 5, 437-440, https://doi.org/10.1002/ffj.1333
. [all data]
Khan, Srivastava, et al., 2003
Khan, M.; Srivastava, S.K.; Jain, N.; Syamasundar, K.V.; Yadav, A.K.,
Chemical composition of fruit and stem essential oils of Lantana camara from northern India,
Flavour Fragr. J., 2003, 18, 5, 376-379, https://doi.org/10.1002/ffj.1197
. [all data]
Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasunder, K.V.; Khanuja, S.P.S.,
Essential oil composition of Cymbopogon martinii from different places in India,
Flavour Fragr. J., 2003, 18, 4, 312-315, https://doi.org/10.1002/ffj.1222
. [all data]
Rao, Kaul, et al., 2003
Rao, B.R.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S.,
Comparative composition of decanted and recovered essential oils of Eucalyptus citriodora Hook,
Flavour Fragr. J., 2003, 18, 2, 133-135, https://doi.org/10.1002/ffj.1157
. [all data]
El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M.,
Chemical composition and biological activity of the essential oils of Senecio aegyptus var. discoideus Boiss.,
Z. Naturforsch., 2002, 57c, 434-439. [all data]
Khan, Srivastava, et al., 2002
Khan, M.; Srivastava, S.K.; Syamasundar, K.V.; Singh, M.; Naqvi, A.A.,
Chemical composition of leaf and flower essential oil of Lantana camara from India,
Flavour Fragr. J., 2002, 17, 1, 75-77, https://doi.org/10.1002/ffj.1047
. [all data]
Frizzo, Serafini, et al., 2001
Frizzo, C.D.; Serafini, L.A.; Dellacassa, E.; Lorenzo, D.; Moyna, P.,
Essential oil of Baccharis uncinella DC. from Southern Brazil,
Flavour Fragr. J., 2001, 16, 4, 286-288, https://doi.org/10.1002/ffj.998
. [all data]
Khouri, Usubillaga, et al., 2000
Khouri, N.; Usubillaga, A.; Rojas, L.B.; Galarraga, F.,
The essential oil of Espeletia weddellii Sch. Bip. ex Wedd.,
Flavour Fragr. J., 2000, 15, 4, 263-265, https://doi.org/10.1002/1099-1026(200007/08)15:4<263::AID-FFJ907>3.0.CO;2-Q
. [all data]
Adams, 1998
Adams, R.P.,
The essential oils and chemotaxonomy of Juniperus sect. Juniperus,
Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9
. [all data]
MacLeod, MacLeod, et al., 1988
MacLeod, A.J.; MacLeod, G.; Subramanian, G.,
Volatile aroma constituents of orange,
Phytochemistry, 1988, 27, 7, 2185-2188, https://doi.org/10.1016/0031-9422(88)80123-7
. [all data]
Okamoto, Ellison, et al., 1981
Okamoto, R.A.; Ellison, B.O.; Kepner, R.E.,
Volatile terpenes in Sequoia sempervirens foliage. Changes in composition during maturation,
J. Agric. Food Chem., 1981, 29, 2, 324-326, https://doi.org/10.1021/jf00104a026
. [all data]
Malingré and Maarse, 1974
Malingré, T.M.; Maarse, H.,
Composition of the essential oil of Mentha aquatica,
Phytochemistry, 1974, 13, 8, 1531-1535, https://doi.org/10.1016/0031-9422(74)80322-5
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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