α-Guaiene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m1/s1
- IUPAC Standard InChIKey: ADIDQIZBYUABQK-UPJWGTAASA-N
- CAS Registry Number: 3691-12-1
- 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. - Other names: Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1α,4α,7α)]-; (1S,4S,7R)-1,4-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene; Guaia-1(5),11-diene; 7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-, [1S-(1α,4α,7α)]-; Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-; (Z)-β-Guaiene; α-Guajene; α-quaiene; α-Guaiaene; β-Guaiene, cis-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Normal alkane 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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax FSC | HP-Innowax FSC | Carbowax 20M | Carbowax 20M | Innowax FSC |
| Column length (m) | 60. | 60. | 60. | ||
| Carrier gas | Helium | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | not specified | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1596. | 1596. | 1596. | 1652. | 1596. |
| Reference | Bardakci, Demirci, et al., 2012 | Erdurak, Coskun, et al., 2006 | Vinogradov, 2004 | Vinogradov, 2004 | Baser, Demirei, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Bardakci, Demirci, et al., 2012
Bardakci, H.; Demirci, B.; Yesilada, E.; Kirmizibekmez, H.; Naser, K.H.C.,
Chemical composition of the essential oil of the subterranean parts of Valeriana alliariifolia,
Rec. Nat. Prod., 2012, 6, 1, 89-92. [all data]
Erdurak, Coskun, et al., 2006
Erdurak, C.S.; Coskun, M.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oil of fruits and roots of Ferulago isaurica Pesmen and F. syriaca Boiss. (Umbelliferae) from Turkey,
Flavour Fragr. J., 2006, 21, 1, 118-121, https://doi.org/10.1002/ffj.1540
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Baser, Demirei, et al., 2002
Baser, K.H.C.; Demirei, B.; Özek, T.; Akalin, E.; Özhatay, N.,
Micro-distilled volatile compounds from Ferulago species growing in Western Turkey,
Pharm. Biol., 2002, 40, 6, 466-471, https://doi.org/10.1076/phbi.40.6.466.8439
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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