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, 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 | Stabilwax | Supelcowax-10 | Carbowax 20M | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 30. | 30. | 25. | 30. | 30. |
Carrier gas | N2 | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.5 | ||
Phase thickness (μm) | 1. | 0.25 | |||
Tstart (C) | 50. | 40. | 60. | 40. | 40. |
Tend (C) | 220. | 210. | 200. | 210. | 210. |
Heat rate (K/min) | 2. | 2. | 5. | 2. | 2. |
Initial hold (min) | 3. | 2. | 2. | 2. | |
Final hold (min) | 15. | 33. | 120. | 120. | |
I | 1600. | 1589. | 1602. | 1578. | 1576. |
Reference | Hazzit, Baaliouamer, et al., 2006 | Sylvestre, Pichette, et al., 2006 | Mallavarapu, Rao, et al., 1998 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | BP-20 | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 50. | 25. | 100. | 100. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.3 | 0.332 | 0.28 | 0.28 |
Phase thickness (μm) | |||||
Tstart (C) | 40. | 70. | 70. | 80. | 80. |
Tend (C) | 200. | 210. | 200. | 200. | 200. |
Heat rate (K/min) | 2. | 2. | 4. | 3. | 3. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | |||||
I | 1586. | 1574. | 1596. | 1556. | 1556. |
Reference | Umano, Hagi, et al., 1994 | Randriamiharisoa and Gaydou, 1987 | Wyllie, Cook, et al., 1987 | Bernhard, Shibamoto, et al., 1983 | Bernhard, Shibamoto, et al., 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Carbowax 20M | Carbowax 20M |
Column length (m) | 50. | 50. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | 0.28 | 0.28 |
Phase thickness (μm) | ||
Tstart (C) | 80. | 80. |
Tend (C) | 200. | 200. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | ||
Final hold (min) | ||
I | 1562. | 1565. |
Reference | Toda, Yamaguchi, et al., 1982 | Toda, Yamaguchi, et al., 1982 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [all data]
Sylvestre, Pichette, et al., 2006
Sylvestre, M.; Pichette, A.; Longtin, A.; Nagau, F.; Legault, J.,
Essential oil analysis and anticancer activity of leaf essential oil of Croton flavens L. from Guadeloupe,
J. Ethnopharmacol., 2006, 103, 1, 99-102, https://doi.org/10.1016/j.jep.2005.07.011
. [all data]
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T.,
Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle),
J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011
. [all data]
Randriamiharisoa and Gaydou, 1987
Randriamiharisoa, R.P.; Gaydou, E.M.,
Composition of Palmarosa (Cymbopogon martinii) essential oil from Madagascar,
J. Agric. Food Chem., 1987, 35, 1, 62-66, https://doi.org/10.1021/jf00073a015
. [all data]
Wyllie, Cook, et al., 1987
Wyllie, S.G.; Cook, D.; Brophy, J.J.; Richter, K.M.,
Volatile flavor components of Annona atemoya (custard apple),
J. Agric. Food Chem., 1987, 35, 5, 768-770, https://doi.org/10.1021/jf00077a029
. [all data]
Bernhard, Shibamoto, et al., 1983
Bernhard, R.A.; Shibamoto, T.; Yamaguchi, K.; White, E.,
The volatile constituents of Schinus molle L.,
J. Agric. Food Chem., 1983, 31, 2, 463-466, https://doi.org/10.1021/jf00116a075
. [all data]
Toda, Yamaguchi, et al., 1982
Toda, H.; Yamaguchi, K.; Shibamoto, T.,
Isolation and identification of banana-like aroma from banana shrub (Michellia figo Spreng),
J. Agric. Food Chem., 1982, 30, 1, 81-84, https://doi.org/10.1021/jf00109a017
. [all data]
Notes
Go To: Top, Kovats' 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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