(E)-β-Famesene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
- IUPAC Standard InChIKey: JSNRRGGBADWTMC-NTCAYCPXSA-N
- CAS Registry Number: 18794-84-8
- 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: 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-; 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene, trans; β-Farnesene (E); β-trans-Farnesene; Farnesene (E, β); t-β-Farnesene; trans-β-Farnesene; (6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene; 502-60-3; (E)-β-Farnesene; β-Farnesene; beta-(E)-Farnesene; 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene; trans-β-farnesen; (E)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene
- 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 | OV-1 | BP-1 | DB-5 |
| Column length (m) | 30. | 25. | 15. | 30. | 30. |
| Carrier gas | N2 | N2 | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.317 | 0.32 | 0.26 |
| 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) | 50C(4min) => (4C/min) => 90C => (10C/min)=300C(10min) | 60 C 5 C/min -> 220 C (5 min) 3 C/min -> 245 C (5 min) | not specified |
| I | 1454. | 1466. | 1448. | 1466. | 1458. |
| Reference | Khan, Verma, et al., 2006 | Khan, Srivastava, et al., 2003 | El-Shazly, Dorai, et al., 2002 | Khan, Srivastava, et al., 2002 | Adams, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Methyl Silicone | SF-96 |
| Column length (m) | 25. | 150. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.75 | |
| Phase thickness (μm) | ||
| Program | 50 0C 4 0C/min -> 180 0C 10 0C/min -> 250 0C | not specified |
| I | 1442. | 1426. |
| Reference | Machado, Militao, et al., 1995 | 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.
Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
Flavour Fragr. J., 2006, 21, 5, 772-775, https://doi.org/10.1002/ffj.1682
. [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]
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]
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]
Machado, Militao, et al., 1995
Machado, S.M.F.; Militao, J.S.L.T.; Facundo, V.A.; Ribeiro, A.; de Morais, S.M.; de Alencar, J.W.; Filho, R.B.,
Essential Oil of Conyza sumatrensis (Retz) Walk,
J. Essent. Oil Res., 1995, 7, 1, 83-84, https://doi.org/10.1080/10412905.1995.9698470
. [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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