(E)-α-Bisabolene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+
- IUPAC Standard InChIKey: YHBUQBJHSRGZNF-VGOFMYFVSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: trans-α-Bisabolene; trans-p-Bisabolene
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- Other data available:
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Normal alkane RI, non-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 | CB-1 | CB-1 | HP-5MS | DB-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | 0.25 |
| Program | 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min) | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 35 0C (6 min) 5 0C/min -> 50 0C 2 0C/min -> 70 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0C | 60C => 1.5C/min => 185C(1min) => 9C/min => 275C(2min) |
| I | 1547. | 1530. | 1503. | 1517. | 1544. |
| Reference | Kannaste, Vongvanich, et al., 2008 | Kannaste, Vongvanich, et al., 2008 | Cole, Haber, et al., 2007 | Soares, Pereira, et al., 2007 | Singh, Marimuthu, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Kannaste, Vongvanich, et al., 2008
Kannaste, A.; Vongvanich, N.; Borg-Karlson, A.-K.,
Infestation by a Nalepella species induces emissions of alpha- and beta-farnesenes, (-)-linalool and aromatic compounds in Norway spruce clones of different susceptibility to the large pine weevil,
Anthropod-Plant Interactions, 2008, 2, 1, 31-41, https://doi.org/10.1007/s11829-008-9029-4
. [all data]
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Soares, Pereira, et al., 2007
Soares, F.D.; Pereira, T.; Marques, M.O.M.; Monteiro, A.R.,
Volatile and Non-volatile Chemical Composition of the White Guava fruit (Psidium guaiava) at different Stages of Maturity,
Food Chem., 2007, 100, 1, 15-21, retrieved from http://www.aseanfood.info/Articles/11016448.pdf, https://doi.org/10.1016/j.foodchem.2005.07.061
. [all data]
Singh, Marimuthu, et al., 2006
Singh, G.; Marimuthu, P.; de Heluani, C.S.; Catalan, C.A.N.,
Antioxidant and biocidal activities of Carum nigrum (seed) essential oil, oleoresin, and their selected components,
J. Agric. Food Chem., 2006, 54, 1, 174-181, https://doi.org/10.1021/jf0518610
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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