β-Copaene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: UPVZPMJSRSWJHQ-UWMJVVDFSA-N
- CAS Registry Number: 18252-44-3
- 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: Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer; (1R,2S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decane-rel-; Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-rel-; Tricyclo[4.4.0.02,7]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer; Tricyclo[4.4.0.02,7]decane, 8-isopropyl-1-methyl-3-methylene-, anti-8-; (.+/-.)-β-Copaene; cis-β-Copaene
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- Other data available:
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Van Den Dool and Kratz RI, non-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 | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | RTX-1 | RTX-1 | SPB-1 | HP-5MS |
Column length (m) | 50. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 50. | 60. |
Tend (C) | 220. | 230. | 230. | 250. | 280. |
Heat rate (K/min) | 2. | 2. | 2. | 5. | 4. |
Initial hold (min) | 3. | 5. | |||
Final hold (min) | 20. | 30. | 35. | 15. | |
I | 1428. | 1444. | 1426. | 1418. | 1428. |
Reference | Lesueur, de Rocca Serra, et al., 2007 | Muselli, Rossi, et al., 2007 | Paolini, Muselli, et al., 2007 | Radulovic, Lazarevic, et al., 2007 | Radulovic, Lazarevic, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | DB-1 | HP-5MS | DB-5 | DB-5 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 60. | 50. | 50. |
Tend (C) | 220. | 220. | 280. | 250. | 250. |
Heat rate (K/min) | 2. | 4. | 3. | 5. | 5. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 20. | ||||
I | 1421. | 1420. | 1430. | 1432. | 1432. |
Reference | Gonny, Cavaleiro, et al., 2006 | Kuiate, Bessière, et al., 2006 | Kukic J., Petrovic S., et al., 2006 | Su, Ho, et al., 2006 | Su, Ho, et al., 2006, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | RTX-1 | DB-1 | Methyl Silicone | DB-1 |
Column length (m) | 30. | 60. | 30. | 50. | 30. |
Carrier gas | He | He | N2 | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 50. | 50. | 50. |
Tend (C) | 260. | 230. | 200. | 240. | 200. |
Heat rate (K/min) | 3. | 2. | 5. | 3. | 5. |
Initial hold (min) | |||||
Final hold (min) | 35. | 0. | |||
I | 1431. | 1426. | 1422. | 1430. | 1432. |
Reference | Javidnia, Miri, et al., 2005 | Paolini, Costa, et al., 2005 | Tchoumbougnang, Zollo, et al., 2005 | Özcan and Chalchat, 2004 | Boyom, Assembe, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | RTX-1 | Methyl Silicone | Methyl Silicone | DB-1 |
Column length (m) | 60. | 50. | 25. | 30. |
Carrier gas | He | N2 | He | He |
Substrate | ||||
Column diameter (mm) | 0.22 | 0.25 | 0.2 | 0.20 |
Phase thickness (μm) | 0.25 | 0.17 | 0.3 | 0.20 |
Tstart (C) | 60. | 80. | 40. | 70. |
Tend (C) | 230. | 200. | 200. | 200. |
Heat rate (K/min) | 2. | 2. | 2. | 4. |
Initial hold (min) | 5. | |||
Final hold (min) | 45. | |||
I | 1427. | 1444. | 1446. | 1445. |
Reference | Cavalli, Tomi, et al., 2003 | Sumathykutty, Rao, et al., 1999 | Píry, Príbela, et al., 1995 | Stashenko, Wiame, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J.,
Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam,
Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799
. [all data]
Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J.,
Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica,
Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787
. [all data]
Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
. [all data]
Radulovic, Lazarevic, et al., 2007
Radulovic, N.; Lazarevic, J.; Ristic, N.; Palic, R.,
Chemotaxonomic significance of the volatiles in the genus Stachys (Lamiaceae): Essential oil composition of four Balkan Stachys species,
Biochem. Syst. Ecol., 2007, 35, 4, 196-208, https://doi.org/10.1016/j.bse.2006.10.010
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Kuiate, Bessière, et al., 2006
Kuiate, J.R.; Bessière, J.M.; Vilarem, G.; Amvam Zollo, P.H.,
Chemical composition and antidermatophytic properties of the essential oils from leaves, flowers and fruits of Cupressus lusitanica Mill. from Cameroon,
Flavour Fragr. J., 2006, 21, 4, 693-697, https://doi.org/10.1002/ffj.1686
. [all data]
Kukic J., Petrovic S., et al., 2006
Kukic J.; Petrovic S.; Pavlovic M.; Couladis M.; Tzakou O.; Niketic M.,
Composition of essential oil of Stachys alpina L. ssp dinarica Murb.,
Flavour Fragr. J., 2006, 21, 3, 539-542, https://doi.org/10.1002/ffj.1684
. [all data]
Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C.,
Analysis of leaf essential oils from the indigenous five conifers of Taiwan,
Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685
. [all data]
Su, Ho, et al., 2006, 2
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T.,
Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts,
Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]
Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Mehregan, I.; Sadeghpour, H.,
Volatile constituents of the essential oil of Nepeta ucrainica L. ssp. kopetdaghensis from Iran,
Flavour Fragr. J., 2005, 20, 2, 219-221, https://doi.org/10.1002/ffj.1381
. [all data]
Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
. [all data]
Tchoumbougnang, Zollo, et al., 2005
Tchoumbougnang, F.; Zollo, P.H.A.; Boyom, F.F.; Nyegue, M.A.; Bessière, J.M.; Menut, C.,
Aromatic plants of tropical Central Africa. XLVIII. Comparative study of the essential oils of four Hyptis species from Cameroon: H. lanceolata Poit., H. pectinata (L.) Poit., H. spicigera Lam. and H. suaveolens Poit.,
Flavour Fragr. J., 2005, 20, 3, 340-343, https://doi.org/10.1002/ffj.1441
. [all data]
Özcan and Chalchat, 2004
Özcan, M.; Chalchat, J.-C.,
Aroma profile of Thymus vulgaris L. growing wild in Turkey,
Bulg. J. Plant Physiol., 2004, 30, 3-4, 68-73. [all data]
Boyom, Assembe, et al., 2003
Boyom, F.F.; Assembe, E.Z.; Zollo, P.H.A.; Agnaniet, H.; Menut, C.; Bessière, J.M.,
Aromatic plants of tropical central Africa. Part XLII. Volatile components from Antidesma laciniatum Muell. Arg. Var. laciniatum growing in Cameroon,
Flavour Fragr. J., 2003, 18, 5, 451-453, https://doi.org/10.1002/ffj.1251
. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S.,
Essential oil constituents of some Piper species,
Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0
. [all data]
Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P.,
Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7
. [all data]
Stashenko, Wiame, et al., 1995
Stashenko, E.; Wiame, H.; Dassy, S.; Martinez, J.R.; Shibamoto, T.,
Catalytic transformation of copaiba (Copaifera officinalis) oil over zeolite ZSM-5,
J. Hi. Res. Chromatogr., 1995, 18, 1, 54-58, https://doi.org/10.1002/jhrc.1240180112
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-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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