Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2α,4aα,8aβ)]-
- 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/t13-,14?,15-/m1/s1
- IUPAC Standard InChIKey: OZQAPQSEYFAMCY-GIJJTGMTSA-N
- CAS Registry Number: 473-13-2
- 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:
- (2S,4aR,8aR)-4a,8-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
- Naphthalene, 3,4,4a,5,6,7,8,8a-octahydro-7-isopropylene-1,4a-dimethyl-
- (-)-α-helmiscapene
- ent-α-selinene
- 10-epi-α-selinene
- epi-α-Selinene
- 7-diepi-α-Selinene
- 7-epi--Selinene
- 5,10-di-epi-α-Selinene
- Selina-4,11-diene
- 7-epi-α-Selinene
- β-Helmiscapene
- Other names: α-Selinene; Selinene; 2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene; Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2R,4aR,8aR)-; alpha selinene
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- Other data available:
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Van Den Dool and Kratz RI, polar column, custom temperature program
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 | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 25. | 30. | 30. |
| Carrier gas | H2 | He | He |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 40C(8min) => 3C/min => 180C => 20C/min => 230C | 60C(3min) => 4C/min => 160C => 10C/min => 280C | 60C(3min) => 4C/min => 160C => 10C/min => 280C |
| I | 1753. | 1721. | 1721. |
| Reference | Frizzo, Lorenzo, et al., 2004 | Bortolomeazzi, Berno, et al., 2001 | Bortolomeazzi, Pizzale, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E.,
Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil,
J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x
. [all data]
Bortolomeazzi, Berno, et al., 2001
Bortolomeazzi, R.; Berno, P.; Pizzale, L.; Conte, L.S.,
Sesquiterpene, alkene, and alkane hydrocarbons in virgin olive oils of different varieties and geographical origins,
J. Agric. Food Chem., 2001, 49, 7, 3278-3283, https://doi.org/10.1021/jf001271w
. [all data]
Bortolomeazzi, Pizzale, et al., 2000
Bortolomeazzi, R.; Pizzale, L.; Vichi, S.; Piasenzotto, L.; Conte, L.S.,
GC-MS Characterization of sesquiterpenic hydrocarbons in virgin olive oils, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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