(2S,4aR,8aR)-4a,8-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3
- IUPAC Standard InChIKey: OZQAPQSEYFAMCY-UHFFFAOYSA-N
- CAS Registry Number: 123123-37-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2S,4aR,8aR)-; Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2S-(2α,4aβ,8aα)]-; 7-epi-α-Selinene; 7 epi-a-Selinene
- 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 |
|---|---|---|---|
| Active phase | DB-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 60. | 30. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 0.25 |
| Tstart (C) | 40. | 40. | 60. |
| Tend (C) | 210. | 230. | 200. |
| Heat rate (K/min) | 2. | 3. | 4. |
| Initial hold (min) | 2. | 5. | 1. |
| Final hold (min) | 33. | 2. | 15. |
| I | 1516. | 1493. | 1518. |
| Reference | Sylvestre, Pichette, et al., 2006 | Buchin, Salmon, et al., 2002 | Juliani and Simon, 2002 |
| Comment | 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.
Sylvestre, Pichette, et al., 2006
Sylvestre, M.; Pichette, A.; Longtin, A.; Nagau, F.; Legault, J.,
Essential oil analysis and anticancer activity of leaf essential oil of Croton flavens L. from Guadeloupe,
J. Ethnopharmacol., 2006, 103, 1, 99-102, https://doi.org/10.1016/j.jep.2005.07.011
. [all data]
Buchin, Salmon, et al., 2002
Buchin, S.; Salmon, J.-C.; Carnat, A.-P.; Berger, T.; Bugaud, C.; Bosset, J.O.,
Identification de composés monoterpéniques, sesquiterpéniques et benzéniques dans un lait d'alpage très riche en ces substances,
Mitt. Lebensmittelunters. Hyg., 2002, 93, 199-216. [all data]
Juliani and Simon, 2002
Juliani, H.R.; Simon, J.E.,
Antioxidant acitivity of basil
in Trends in new crops and new uses, Janick,J.; Whipkey,A., ed(s)., ASHA Press, Alexandria, Va, 2002, 575-579. [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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