α-Bisabolol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChIKey: RGZSQWQPBWRIAQ-CABCVRRESA-N
- CAS Registry Number: 515-69-5
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Bisabolol; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (R*,R*)-; 5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-; α,4-Dimethyl-α-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol; 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol; (R*,R*)-α,4-Dimethyl-α-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol; (R*,R*)-α,4-Dimethyl-α-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-rel-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (αR,1R)-rel-; Camilol; Dragosantol; Hydagen B; dl-α-Bisabolol; α-bisabolool; α-Bisabalol
- Information on this page:
- Other data available:
- Options:
Kovats' 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 | HP-5MS | HP-5MS | DB-5 | BP-1 | DB-1 |
Column length (m) | 30. | 30. | 50. | 25. | 25. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 50. | 60. | 60. |
Tend (C) | 280. | 200. | 280. | 220. | 220. |
Heat rate (K/min) | 2. | 4. | 5. | 5. | 3. |
Initial hold (min) | 8. | 1. | 2. | ||
Final hold (min) | 30. | 15. | 10. | 15. | |
I | 1680. | 1685. | 1701. | 1674. | 1690. |
Reference | Hazzit, Baaliouamer, et al., 2006 | Juliani, Zygadlo, et al., 2004 | Baranauskiene, Venskutonis, et al., 2003 | Raina, Srivastava, et al., 2003 | Mevy, Bessiere, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | BP-1 | PTE-5 | SE-30 | OV-1 |
Column length (m) | 25. | 30. | 60. | 25. | 30. |
Carrier gas | N2 | N2 | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.55 | 0.32 | 0.32 | 0.22 | 0.31 |
Phase thickness (μm) | 0.25 | 0.25 | 0.39 | 0.25 | 3. |
Tstart (C) | 60. | 60. | 60. | 70. | 70. |
Tend (C) | 220. | 220. | 285. | 220. | 280. |
Heat rate (K/min) | 5. | 5. | 4.3 | 5. | 10. |
Initial hold (min) | |||||
Final hold (min) | 15. | 13. | |||
I | 1673. | 1668. | 1690. | 1650. | 1685. |
Reference | Raina, Srivastava, et al., 2002 | Shawl, Srivastava, et al., 2002 | Gudzic, Dordevic, et al., 2001 | Kardali, Velasco-Negueruela, et al., 2000 | Afsharypuor, Asgary, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | BP-1 |
Column length (m) | 50. |
Carrier gas | H2 |
Substrate | |
Column diameter (mm) | 0.33 |
Phase thickness (μm) | |
Tstart (C) | 65. |
Tend (C) | 220. |
Heat rate (K/min) | 5. |
Initial hold (min) | 2. |
Final hold (min) | |
I | 1662. |
Reference | Ekundayo, Laakso, et al., 1988 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [all data]
Juliani, Zygadlo, et al., 2004
Juliani, H.R.; Zygadlo, J.A.; Scrivanti, R.; de la Sota, E.; Simon, J.E.,
The essential oil of Anemia tomentosa (Savigny) Sw. var. anthriscifolia (Schrad.) Mickel,
Flavour Fragr. J., 2004, 19, 6, 541-543, https://doi.org/10.1002/ffj.1341
. [all data]
Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma,
J. Agric. Food Chem., 2003, 51, 13, 3840-3848, https://doi.org/10.1021/jf021187b
. [all data]
Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V.,
Essential oil composition of Acorus calamus L. from the lower region of the Himalayas,
Flavour Fragr. J., 2003, 18, 1, 18-20, https://doi.org/10.1002/ffj.1136
. [all data]
Mevy, Bessiere, et al., 2002
Mevy, J.P.; Bessiere, J.-M.; Dherbomez, M.; Viano, J.,
Composition and some biological activities of the essential oils from an African pasture grass: Elionurus elegans Kunth.,
J. Agric. Food Chem., 2002, 50, 15, 4240-4243, https://doi.org/10.1021/jf0115140
. [all data]
Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
. [all data]
Shawl, Srivastava, et al., 2002
Shawl, A.S.; Srivastava, S.K.; Syamasundar, K.V.; Tripathi, S.; Raina, V.K.,
Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India,
Flavour Fragr. J., 2002, 17, 3, 165-168, https://doi.org/10.1002/ffj.1074
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [all data]
Kardali, Velasco-Negueruela, et al., 2000
Kardali, M.; Velasco-Negueruela, A.; Pérez-Alonso, M.,
Essential Oil Constituents of Sideritis ibanyezii Pau,
Botanica Complutensis, 2000, 24, 101-106. [all data]
Afsharypuor, Asgary, et al., 1996
Afsharypuor, S.; Asgary, S.; Lockwood, G.B.,
Volatile constituents of Achillea millefolium L. ssp. millefolium from Iran,
Flavour Fragr. J., 1996, 11, 5, 265-267, https://doi.org/10.1002/(SICI)1099-1026(199609)11:5<265::AID-FFJ592>3.0.CO;2-F
. [all data]
Ekundayo, Laakso, et al., 1988
Ekundayo, O.; Laakso, I.; Adegbola, R.-M.; Oguntimein, B.; Sofowora, A.; Hiltunen, R.,
Essential oil constituents of Ashanti pepper (Piper guineense) fruits (berries),
J. Agric. Food Chem., 1988, 36, 5, 880-882, https://doi.org/10.1021/jf00083a001
. [all data]
Notes
Go To: Top, Kovats' 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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