Isocaryophyllene
- 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-BJLYVFBQSA-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,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- Caryophyllene
- 9-epi-Caryophyllene
- cis-Caryophyllene
- (+)(E)-Caryophyllene
- 2-epi-(E)- β-Caryophyllene
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-deriv.
- (E)-Caryophyllene
- trans-β-Caryophyllene
- 9-epi-β-Caryophyllene
- 2-epi-(E)-β-Caryophyllene
- (E)-β-Caryophyllene
- 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 | RTx-1 | BPX-5 |
| Column length (m) | 30. | 60. | 7.5 |
| Carrier gas | Helium | Helium | Helium |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.22 | 0.10 |
| Phase thickness (μm) | 0.25 | 0.25 | 10. |
| Tstart (C) | 40. | 60. | 60. |
| Tend (C) | 250. | 230. | 240. |
| Heat rate (K/min) | 3. | 2. | 3. |
| Initial hold (min) | 1. | ||
| Final hold (min) | 3. | 35. | |
| I | 1411. | 1407. | 1423. |
| Reference | Jian-Yu, Zhu, et al., 2012 | Dib, Bendahou, et al., 2010 | Shellie, 2008 |
| 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.
Jian-Yu, Zhu, et al., 2012
Jian-Yu, S.; Zhu, L.; Tian, Y.-J.,
Chemical composition and antimicrobial activities of essential oil of Matricaria songarica,
Int. J. Agriculture Biology, 2012, 14, 1, 107-110. [all data]
Dib, Bendahou, et al., 2010
Dib, M.A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J.,
Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts,
Grasas y Aceites, 2010, 61, 3, 271-278, https://doi.org/10.3989/gya.122609
. [all data]
Shellie, 2008
Shellie, R.A.,
Comprehensive 2D GC-QPMS with differential flow modulation,
LV-GC, 2008, 11, 7-18. [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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