epi-α-Bisabolol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
- IUPAC Standard InChIKey: RGZSQWQPBWRIAQ-CABCVRRESA-N
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: α-epi-Bisabolol; (-)-epi-α-Bisabolol; Bisabolol epi α
- Information on this page:
- Other data available:
- Options:
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 | HP-5 | HP-5 | DB-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | N2 | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min) | 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) | 50 0C 5 K/min -> 140 0C 2 K/min -> 170 0C | not specified |
| I | 1684. | 1684. | 1690. | 1687. | 1686. |
| Reference | Khan, Srivastava, et al., 2003 | Khan, Srivastava, et al., 2002 | Frizzo, Serafini, et al., 2001 | Novak, Zitterl-Eglseer, et al., 2001 | Adams, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
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]
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]
Novak, Zitterl-Eglseer, et al., 2001
Novak, J.; Zitterl-Eglseer, K.; Deans, S.G.; Franz, C.M.,
Essential oils of different cultivars of Cannabis sativa L. and their antimicrobial activity,
Flavour Fragr. J., 2001, 16, 4, 259-262, https://doi.org/10.1002/ffj.993
. [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]
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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