Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1α,2β,4β)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
- 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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Van Den Dool and Kratz RI, polar column, custom temperature program
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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 | Carbowax 20M | RTX-Wax | Carbowax 20M | BP-20 |
| Column length (m) | 30. | 30. | 60. | 30. | |
| Carrier gas | 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 | |
| Program | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) | 60C(3min) => 4C/min => 160C => 10C/min => 280C | not specified | 60C(3min) => 4C/min => 160C => 10C/min => 280C | not specified |
| I | 1580. | 1589. | 1588. | 1589. | 1581. |
| Reference | Zheng, Kim, et al., 2005 | Bortolomeazzi, Berno, et al., 2001 | Cavalli, Ranarivelo, et al., 2001 | Bortolomeazzi, Pizzale, et al., 2000 | Filippini, Tomi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-Innowax |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Program | 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C |
| I | 1580. |
| Reference | Bisio, Ciarallo, et al., 1998 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J.,
Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves,
J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975
. [all data]
Bortolomeazzi, Berno, et al., 2001
Bortolomeazzi, R.; Berno, P.; Pizzale, L.; Conte, L.S.,
Sesquiterpene, alkene, and alkane hydrocarbons in virgin olive oils of different varieties and geographical origins,
J. Agric. Food Chem., 2001, 49, 7, 3278-3283, https://doi.org/10.1021/jf001271w
. [all data]
Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J.,
Constituents of the essential oil of six Helichrysum species from Madagascar,
Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994
. [all data]
Bortolomeazzi, Pizzale, et al., 2000
Bortolomeazzi, R.; Pizzale, L.; Vichi, S.; Piasenzotto, L.; Conte, L.S.,
GC-MS Characterization of sesquiterpenic hydrocarbons in virgin olive oils, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]
Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J.,
Composition of the leaf oil of Ferula arrigonii Bocchieri,
Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6
. [all data]
Bisio, Ciarallo, et al., 1998
Bisio, A.; Ciarallo, G.; Romussi, G.; Fontana, N.; Mascolo, N.; Capasso, R.; Biscardi, D.,
Chemical Composition of Essential Oils from some Salvia species,
Phytother. Res., 1998, 12, S1, s117-s120, https://doi.org/10.1002/(SICI)1099-1573(1998)12:1+3.0.CO;2-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
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