Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1α,7β,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3
- IUPAC Standard InChIKey: QEBNYNLSCGVZOH-UHFFFAOYSA-N
- CAS Registry Number: 4630-07-3
- 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. - Stereoisomers:
- Other names: 4βH,5α-Eremophila-1(10),11-diene; (+)-Valencene; Valencen; Valencene; 4α,10α-Dimethyl-6β-isopropyl-δ1,9-octalin; Valencene 85; 3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene; Isoeremophilene; [1R-(1α,7β,8α)]-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene
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Kovats' RI, 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 | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 40. | 75. | 40. |
| Tend (C) | 210. | 230. | 210. |
| Heat rate (K/min) | 2. | 3. | 2. |
| Initial hold (min) | 2. | 2. | |
| Final hold (min) | 33. | 120. | |
| I | 1718. | 1721. | 1711. |
| Reference | Sylvestre, Pichette, et al., 2006 | Tzakou and Couladis, 2001 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, 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]
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]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Notes
Go To: Top, Kovats' RI, 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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