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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Normal alkane RI, 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 | RTX-Wax | RTX-Wax | Supelcowax-10 | BP-20 | DB-Wax |
Column length (m) | 60. | 60. | 30. | 50. | 60. |
Carrier gas | Helium | He | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 60. | 70. |
Tend (C) | 230. | 230. | 210. | 220. | 230. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
Initial hold (min) | 2. | ||||
Final hold (min) | 30. | 35. | 33. | 20. | 20. |
I | 1565. | 1585. | 1585. | 1587. | 1589. |
Reference | Museli, Pau, et al., 2009 | Paolini, Tomi, et al., 2008 | Sylvestre, Longtin, et al., 2007 | Boti, Yao, et al., 2006 | Choi, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | BP-20 | Supelcowax | TC-Wax | HP-Innowax |
Column length (m) | 60. | 50. | 60. | 60. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.2 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.2 | |
Tstart (C) | 70. | 60. | 60. | 80. | 50. |
Tend (C) | 230. | 220. | 230. | 240. | 220. |
Heat rate (K/min) | 2. | 2. | 4. | 3. | 4. |
Initial hold (min) | 2. | 30. | 5. | ||
Final hold (min) | 20. | 20. | |||
I | 1562. | 1587. | 1580. | 1542. | 1628. |
Reference | Lan Phi N.T., Nishiyama C., et al., 2006 | Lesueur, Ban, et al., 2006 | Gauvin and Smadja, 2005 | Miyazawa, Teranishi, et al., 2003 | Stashenko, Jaramillo, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 60. | 60. | 60. | 60. | 150. |
Carrier gas | N2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.66 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 70. | 50. | 30. | 30. | 60. |
Tend (C) | 230. | 230. | 180. | 180. | 170. |
Heat rate (K/min) | 2. | 4. | 2. | 2. | 1. |
Initial hold (min) | 2. | 4. | 4. | 40. | |
Final hold (min) | 20. | 10. | |||
I | 1552. | 1588. | 1567. | 1567. | 1550. |
Reference | Tu, Onishi, et al., 2003 | Binder, Turner, et al., 1990 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 | Buttery and Ling, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J.,
Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia,
Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1
. [all data]
Paolini, Tomi, et al., 2008
Paolini, J.; Tomi, P.; Bernardini, A.-F.; Bradesi, P.; Casanova, J.; Kaloustian, J.,
Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy,
N.Z. J. Agric. Res., 2008, 22, 14, 1270-1278. [all data]
Sylvestre, Longtin, et al., 2007
Sylvestre, M.; Longtin, A.P.A.; Legault, J.,
Volatile leaf condtituents and anticancer activity of Bursera simaruba (L.) Sarg. essential oil,
Natural Product Communications, 2007, 2, 12, 1273-1276. [all data]
Boti, Yao, et al., 2006
Boti, J.B.; Yao, P.A.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Components and chemical variability of Isolona campanulata Engler Diels leaf oil,
Flavour Fragr. J., 2006, 21, 1, 166-170, https://doi.org/10.1002/ffj.1555
. [all data]
Choi, 2006
Choi, H.-S.,
Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb,
Flavour Fragr. J., 2006, 21, 4, 604-608, https://doi.org/10.1002/ffj.1602
. [all data]
Lan Phi N.T., Nishiyama C., et al., 2006
Lan Phi N.T.; Nishiyama C.; Choi H.-S.; Sawamura M.,
Evaluation of aroma characteristic compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil,
Biosci. Biotechnol. Biochem., 2006, 70, 8, 1832-1838, https://doi.org/10.1271/bbb.50705
. [all data]
Lesueur, Ban, et al., 2006
Lesueur, D.; Ban, N.K.; Bighelli, A.; Muselli, A.; Casanova, J.,
Analysis of the root oil of Fokienia hodginsii (Dunn) Henry et Thomas (Cupressaceae) by GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 171-174, https://doi.org/10.1002/ffj.1557
. [all data]
Gauvin and Smadja, 2005
Gauvin, A.; Smadja, J.,
Essential oil composition of four Psiadia species from Reunion Island: A chemotaxonomic study,
Biochem. Syst. Ecol., 2005, 33, 7, 705-714, https://doi.org/10.1016/j.bse.2004.12.013
. [all data]
Miyazawa, Teranishi, et al., 2003
Miyazawa, M.; Teranishi, A.; Ishikawa, Y.,
Components of the essential oil from Petasites japonicus,
Flavour Fragr. J., 2003, 18, 3, 231-233, https://doi.org/10.1002/ffj.1203
. [all data]
Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae,
Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [all data]
Tu, Onishi, et al., 2003
Tu, N.T.M.; Onishi, Y.; Son, U.S.; Ogawa, E.; Ukeda, H.; Sawamura, M.,
Characteristic odour components of Citrus inflata Hort. Ex Tanaka (Mochiyu) cold-pressed peel oil,
Flavour Fragr. J., 2003, 18, 5, 454-459, https://doi.org/10.1002/ffj.1252
. [all data]
Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Comparison of yellow starthistle volatiles from different plant parts,
J. Agric. Food Chem., 1990, 38, 3, 764-767, https://doi.org/10.1021/jf00093a038
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
Buttery and Ling, 1984
Buttery, R.G.; Ling, L.C.,
Corn leaf volatiles: identification using Tenax trapping for possible insect attractants,
J. Agric. Food Chem., 1984, 32, 5, 1104-1106, https://doi.org/10.1021/jf00125a044
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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