(1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- 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+/m1/s1
- IUPAC Standard InChIKey: NPNUFJAVOOONJE-BLOBHPOZSA-N
- CAS Registry Number: 68832-35-9
- 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-
- 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
- cis-Caryophyllene
- β-cis-Caryophyllene
- (E)-β-Caryophyllene
- Isocaryophyllene
- Other names: Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9R)-; Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9R*)]-; (+)-9-epi-β-Caryophyllene; 9-epi-(E)-Caryophyllene; 9-epi-trans-Caryophyllene; 9-epi-β-Caryophyllene; epi-β-Caryophyllene; 9-epi-(E)-Caryophillene
- Information on this page:
- Other data available:
- Options:
Kovats' 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 | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.26 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. |
| Tend (C) | 246. | 240. | 240. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. |
| Initial hold (min) | ||||
| Final hold (min) | 30. | 30. | ||
| I | 1466. | 1457. | 1455. | 1465. |
| Reference | Adams, González Elizondo, et al., 2006 | Marongiu, Piras, et al., 2003 | Marongiu, Piras, et al., 2003 | Tzakou and Couladis, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Adams, González Elizondo, et al., 2006
Adams, R.P.; González Elizondo, M.S.; González Elizondo, M.; Slinkman, E.,
DNA fingerprinting and terpenoid analysis of Juniperus blancoi var. huehuentensis (Cupressaceae), a new subalpine variety from Durango, Mexico,
Biochem. Syst. Ecol., 2006, 34, 3, 205-211, https://doi.org/10.1016/j.bse.2005.11.004
. [all data]
Marongiu, Piras, et al., 2003
Marongiu, B.; Piras, A.; Pani, F.; Porcedda, S.; Ballero, M.,
Extraction, separation and isolation of essential oils from natural matrices by supercritical CO2,
Flavour Fragr. J., 2003, 18, 6, 505-509, https://doi.org/10.1002/ffj.1258
. [all data]
Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955
. [all data]
Notes
Go To: Top, Kovats' 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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