β-Bisabolene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: XZRVRYFILCSYSP-HNNXBMFYSA-N
- CAS Registry Number: 495-61-4
- 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: Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-; l-β-Bisabolene; (+,-)-β-Bisabolene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; beta-Bisabolene; (-)-β-bisabolene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (S)-1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexen-1-yl)-, (4S)-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | DB-FFAP | DB-Wax | HP Innowax | Carbowax | Carbowax |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.2 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.25 | 0.25 |
Tstart (C) | 50. | 80. | 60. | 60. | 60. |
Tend (C) | 250. | 240. | 260. | 250. | 250. |
Heat rate (K/min) | 4. | 3. | 3. | 2. | 2. |
Initial hold (min) | 4. | 8. | 8. | ||
Final hold (min) | 5. | 2. | 15. | 15. | |
I | 1738. | 1736. | 1724. | 1718. | 1699. |
Reference | Osorio, Carriazo, et al., 2011 | Vahirua-Lechat, Mitermite, et al., 2010 | Capetanos, Saroglou, et al., 2007 | Ferhat, Meklati, et al., 2007 | Ferhat, Tigrine-Kordjani, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | TC-Wax | DB-Wax | CP-Wax 52CB | BP-20 |
Column length (m) | 30. | 60. | 60. | 30. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 70. | 60. | 60. |
Tend (C) | 220. | 240. | 220. | 220. | 220. |
Heat rate (K/min) | 3. | 2. | 4. | 3.3 | 2. |
Initial hold (min) | 1. | 7. | |||
Final hold (min) | 2. | 3. | 20. | ||
I | 1745. | 1723. | 1727. | 1726. | 1728. |
Reference | Hymete, Rohloff, et al., 2007 | Miyazawa and Tamura, 2007 | Pala-Paul, Brophy, et al., 2007 | Hymete, Rohloff, et al., 2006 | Lesueur, Ban, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax | CP-Wax | HP-20M | HP-20M |
Column length (m) | 60. | 30. | 30. | 50. | 50. |
Carrier gas | He | He | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.20 | 0.20 |
Phase thickness (μm) | 0.25 | 0.17 | 0.25 | 0.20 | 0.20 |
Tstart (C) | 70. | 60. | 40. | 70. | 70. |
Tend (C) | 230. | 210. | 180. | 180. | 180. |
Heat rate (K/min) | 2. | 4. | 5. | 4. | 4. |
Initial hold (min) | 2. | 3. | 2. | 4. | 4. |
Final hold (min) | 20. | 15. | 10. | 10. | |
I | 1728. | 1714. | 1714. | 1694. | 1694. |
Reference | Sawamura, Onishi, et al., 2006 | Ferretti, Maggi, et al., 2005 | Ka, Choi, et al., 2005 | Kulisic, Radonic, et al., 2005 | Kulisic, Radonic, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | TC-FFAP | DB-Wax | CP-Wax 52CB | CP-Wax 52CB | Carbowax |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.4 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 35. | 40. | 40. | 40. |
Tend (C) | 220. | 220. | 220. | 220. | 200. |
Heat rate (K/min) | 3. | 3. | 4. | 4. | 4. |
Initial hold (min) | 1. | 1. | |||
Final hold (min) | 30. | ||||
I | 1731. | 1727. | 1729. | 1729. | 1726. |
Reference | Kurose and Yatagai, 2005 | Palá-Paúl, Pérez-Alonso, et al., 2005 | Rohloff and Bones, 2005 | Rohloff and Bones, 2005 | Szafranek, Chrapkowska, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | ZB-Wax | Supelcowax-10 | DB-Wax | Supelcowax-10 |
Column length (m) | 30. | 30. | 60. | 60. | 50. |
Carrier gas | He | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | |
Tstart (C) | 50. | 40. | 60. | 60. | 70. |
Tend (C) | 220. | 250. | 200. | 220. | 230. |
Heat rate (K/min) | 4. | 5. | 4. | 2. | 2. |
Initial hold (min) | 3. | 2. | 4. | ||
Final hold (min) | 30. | 5. | 40. | ||
I | 1730. | 1711. | 1698. | 1763. | 1737. |
Reference | Wong, Lee, et al., 2005 | N/A | Gauvin, Ravaomanarivo, et al., 2004 | Jiang and Kubota, 2004 | Orav, Stulova, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | DB-Wax | SW-10 | CP-Wax 52CB | TC-Wax |
Column length (m) | 50. | 60. | 50. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.20 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 70. | 35. | 50. | 40. | 80. |
Tend (C) | 230. | 220. | 230. | 220. | 240. |
Heat rate (K/min) | 2. | 3. | 2. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1736. | 1731. | 1736. | 1758. | 1724. |
Reference | Orav, Stulova, et al., 2004 | Palá-Paúl, Brophy, et al., 2004 | Raal, Paaver, et al., 2004 | Mau, Lai, et al., 2003 | Miyazawa, Teranishi, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | SW-10 | HP-Innowax | DB-Wax | PEG-20M |
Column length (m) | 50. | 50. | 50. | 60. | 50. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.20 | 0.2 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | |
Tstart (C) | 70. | 50. | 50. | 40. | 70. |
Tend (C) | 230. | 250. | 220. | 245. | 250. |
Heat rate (K/min) | 2. | 2. | 4. | 1.5 | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 20. | ||||
I | 1737. | 1716. | 1745. | 1720. | 1737. |
Reference | Orav, Kailas, et al., 2003 | Raal, Arak, et al., 2003 | Stashenko, Jaramillo, et al., 2003 | Gancel, Ollé, et al., 2002 | Orav, Kailas, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Innowax | HP-20M | DB-Wax |
Column length (m) | 50. | 50. | 60. | 50. | 60. |
Carrier gas | He | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.20 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.20 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 70. | 50. |
Tend (C) | 220. | 220. | 220. | 180. | 230. |
Heat rate (K/min) | 2. | 2. | 4. | 4. | 5. |
Initial hold (min) | 10. | 4. | 2. | ||
Final hold (min) | 10. | ||||
I | 1724. | 1724. | 1741. | 1701. | 1725. |
Reference | Vernin, Lageot, et al., 2001 | Vernin, Lageot, et al., 2001 | Baser, Özek, et al., 2000 | Mastelic, Milos, et al., 2000 | Paniandy, Chane-Ming, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax | DB-Wax | HP-Innowax FSC | DB-Wax | TC-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 60. | 80. |
Tend (C) | 220. | 240. | 220. | 220. | 240. |
Heat rate (K/min) | 4. | 4. | 3. | 3. | |
Initial hold (min) | 10. | 10. | 5. | ||
Final hold (min) | 10. | ||||
I | 1737. | 1731. | 1740. | 1729. | 1728. |
Reference | Kaya, Baser, et al., 1999 | Ngassoum, Yonkeu, et al., 1999 | Tümen, Baser, et al., 1998 | Werkhoff, Güntert, et al., 1998 | Shuichi, Masazumi, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | Carbowax 20M | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 45. | 60. | 60. |
Carrier gas | He | He | Hydrogen | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 0.25 | |
Tstart (C) | 50. | 50. | 60. | 50. | 50. |
Tend (C) | 180. | 150. | 200. | 230. | 238. |
Heat rate (K/min) | 2.5 | 2. | 2. | 4. | 4. |
Initial hold (min) | 5. | 10. | 5. | ||
Final hold (min) | 20. | 10. | 13. | ||
I | 1735. | 1770. | 1713. | 1721. | 1734. |
Reference | Stashenko, Puertas, et al., 1996 | Tirado, Stashenko, et al., 1995 | Kollmannsberger, Nitz, et al., 1992 | Binder, Turner, et al., 1990 | van Beek, Kleis, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Carbowax 20M | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 50. | 30. | 30. |
Carrier gas | H2 | He | |
Substrate | |||
Column diameter (mm) | 0.32 | ||
Phase thickness (μm) | 0.15 | ||
Tstart (C) | 70. | 50. | 50. |
Tend (C) | 210. | 240. | 240. |
Heat rate (K/min) | 2. | 4. | 4. |
Initial hold (min) | 2. | 2. | |
Final hold (min) | 10. | 10. | |
I | 1678. | 1735. | 1735. |
Reference | Gaydou, Faure, et al., 1989 | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 |
Comment | 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.
Osorio, Carriazo, et al., 2011
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Capetanos, Saroglou, et al., 2007
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Palá-Paúl, Brophy, et al., 2004
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Analysis of the volatile components of Lavandula canariensis (L.) Mill., a Canary Islands endemic species, growing in Australia,
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Raal, Paaver, et al., 2004
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Content and composition of the essential oil of Thymus serpyllum L. growing wild in Estonia,
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Mau, Lai, et al., 2003
Mau, J.-L.; Lai, E.Y.C.; Wang, N.-P.; Chen, C.-C.; Chang, C.-H.; Chyau, C.-C.,
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Miyazawa, Teranishi, et al., 2003
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Components of the essential oil from Petasites japonicus,
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Orav, Kailas, et al., 2003
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Composition of the essential oil of dill, celery, and parsley from Estonia,
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Raal, Arak, et al., 2003
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Comparison of essential oil content of Matricaria recutita L. from different origins,
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Gancel, A.-L.; Ollé, D.; Ollitrault, P.; Luro, F.; Brillouet, J.-M.,
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Volatile constituents of Matricaria recutita L. from Estonia,
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Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C.,
Analysis of the essential oil of Lippia graveolens HBK from El Salvador,
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Notes
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