α-Copaene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3
- IUPAC Standard InChIKey: VLXDPFLIRFYIME-UHFFFAOYSA-N
- CAS Registry Number: 3856-25-5
- 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: Copaene; Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer; Tricyclo[4.4.0.02,7]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)-; (-)-α-Copaene; Copaen; Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st; Aglaiene; Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-; Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-; 8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene
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Kovats' RI, polar column, custom temperature program
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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 | HP-Innowax | Carbowax 20M | Carbowax |
| Column length (m) | 30. | 30. | 127. |
| Carrier gas | H2 | H2 | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.75 |
| Phase thickness (μm) | 0.50 | ||
| Program | 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C (20 min) | 50 0C (8 min) 4 K/min -> 110 0C 16 K/min -> 200 0C | not specified |
| I | 1500. | 1477. | 1533. |
| Reference | Frizzo, Serafini, et al., 2001 | Garruti, Franco, et al., 2001 | Okamoto, Ellison, et al., 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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, Serafini, et al., 2001
Frizzo, C.D.; Serafini, L.A.; Dellacassa, E.; Lorenzo, D.; Moyna, P.,
Essential oil of Baccharis uncinella DC. from Southern Brazil,
Flavour Fragr. J., 2001, 16, 4, 286-288, https://doi.org/10.1002/ffj.998
. [all data]
Garruti, Franco, et al., 2001
Garruti, D.S.; Franco, M.R.B.; da Silva, M.A.A.A.P.; Janzantti, N.S.; Alves, G.L.,
Compostos voláteis do sabor de pseudofrutos de cajueiro anão precoce (Anacardium occidentale L.) CCP-76, Boletim de Pesquisa e Desenvolvimento 4, Empresa Brasileira de Pesquisa Agropecuária, Fortaleza, Brazil, 2001, 29, retrieved from http://www.cnpat.embrapa.br/publica/pub/BolPesq/pd4.pdf. [all data]
Okamoto, Ellison, et al., 1981
Okamoto, R.A.; Ellison, B.O.; Kepner, R.E.,
Volatile terpenes in Sequoia sempervirens foliage. Changes in composition during maturation,
J. Agric. Food Chem., 1981, 29, 2, 324-326, https://doi.org/10.1021/jf00104a026
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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