(E)-β-Caryophyllene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1
- IUPAC Standard InChIKey: NPNUFJAVOOONJE-IOMPXFEGSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-
- (1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- 9-epi-Caryophyllene
- cis-Caryophyllene
- (+)(E)-Caryophyllene
- 2-epi-(E)- β-Caryophyllene
- 9-epi-β-Caryophyllene
- cis-Caryophyllene
- 2-epi-(E)-β-Caryophyllene
- β-cis-Caryophyllene
- Isocaryophyllene
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-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 |
|---|---|---|---|
| Active phase | HP-5 MS | DB-5 | CP-Sil 5 CB |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Nitrogen |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.26 |
| Tstart (C) | 35. | 40. | 45. |
| Tend (C) | 300. | 250. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. |
| Initial hold (min) | 5. | 5. | |
| Final hold (min) | 15. | 20. | 22. |
| I | 1413. | 1416. | 1428. |
| Reference | Kotowska, Zalikowski, et al., 2012 | Cao, Li, et al., 2011 | Mothana, Hasson, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
. [all data]
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379
. [all data]
Mothana, Hasson, et al., 2011
Mothana, R.A.A.; Hasson, S.S.; Schultze, W.; Mowitz, A.; Lindequist, U.,
Phytochemical composition and in vitro antimicrobial and antioxidant activities of essential oils of three endemic Soqotraen Boswellia species,
Food Chem., 2011, 126, 3, 1149-1154, https://doi.org/10.1016/j.foodchem.2010.11.150
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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