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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Kovats' RI, polar column, isothermal
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 | Packed | Capillary | Packed | Packed |
|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 7.3 | 150. | ||
| Carrier gas | ||||
| Substrate | ||||
| Column diameter (mm) | 3.17 | 0.75 | ||
| Phase thickness (μm) | ||||
| Temperature (C) | 150. | 130. | 132. | 132. |
| I | 1537. | 1520. | 1522. | 1522. |
| Reference | Ohta, Andersen, et al., 1977 | Malingré and Maarse, 1974 | Andersen and Falcone, 1969 | Andersen and Falcone, 1969 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ohta, Andersen, et al., 1977
Ohta, Y.; Andersen, N.H.; Liu, C.-B.,
Sesquiterpene constituents of two liverworts of genus diplophyllum. Novel eudesmanolides and cytotoxicity studies for enantiomeric methylene lactones,
Tetrahedron, 1977, 33, 6, 617-628, https://doi.org/10.1016/0040-4020(77)80301-3
. [all data]
Malingré and Maarse, 1974
Malingré, T.M.; Maarse, H.,
Composition of the essential oil of Mentha aquatica,
Phytochemistry, 1974, 13, 8, 1531-1535, https://doi.org/10.1016/0031-9422(74)80322-5
. [all data]
Andersen and Falcone, 1969
Andersen, N.H.; Falcone, M.S.,
The identification of sesquiterpene hydrocarbons from gas-liquid chromatography retention data,
J. Chromatogr., 1969, 44, 52-59, https://doi.org/10.1016/S0021-9673(01)92497-5
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.