epi-α-Bisabolol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
- IUPAC Standard InChIKey: RGZSQWQPBWRIAQ-CABCVRRESA-N
- 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: α-epi-Bisabolol; (-)-epi-α-Bisabolol; Bisabolol epi α
- 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 | DB-5 | DB-5 | SPB-1 | DB-1 | BP-1 |
| Column length (m) | 30. | 25. | 30. | 25. | 30. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 40. | 60. | 60. | 60. |
| Tend (C) | 280. | 225. | 220. | 220. | |
| Heat rate (K/min) | 3. | 3. | 2. | 3. | 5. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 5. | 5. | 13. | ||
| I | 1684. | 1685. | 1690. | 1689. | 1686. |
| Reference | Lucero, Fredrickson, et al., 2006 | Amparo Blázquez, Pérez, et al., 2003 | Jayaprakasha, Rao, et al., 2002 | Mevy, Bessiere, et al., 2002 | Shawl, Srivastava, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | DB-5 | Methyl Silicone | DB-5 |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.26 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 80. | 60. | 60. | 60. | 60. |
| Tend (C) | 225. | 280. | 240. | 225. | 240. |
| Heat rate (K/min) | 4. | 3. | 3. | 2. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 5. | ||||
| I | 1659. | 1683. | 1686. | 1690. | 1688. |
| Reference | Palá-Paúl, Velasco-Negueruela, et al., 2001 | Tzakou and Couladis, 2001 | Adams, 2000 | Jayaprakasha, Rao, et al., 2000 | da Silva, Andrade, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | |||
| Phase thickness (μm) | |||
| Tstart (C) | 40. | 40. | 40. |
| Tend (C) | 210. | 210. | 210. |
| Heat rate (K/min) | 2. | 2. | 2. |
| Initial hold (min) | 2. | 2. | 2. |
| Final hold (min) | 120. | 120. | 120. |
| I | 1682. | 1683. | 1682. |
| Reference | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | 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.
Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B.,
Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction,
J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039
. [all data]
Amparo Blázquez, Pérez, et al., 2003
Amparo Blázquez, M.; Pérez, I.; Boira, H.,
Essential oil analysis of Teucrium libanitis and T. turredanum by GC and GC-MS,
Flavour Fragr. J., 2003, 18, 6, 497-501, https://doi.org/10.1002/ffj.1256
. [all data]
Jayaprakasha, Rao, et al., 2002
Jayaprakasha, G.K.; Rao, L.J.; Sakariah, K.K.,
Chemical composition of volatile oil from Cinnamomum zeylanicum buds,
Z. Naturforsch. C:, 2002, 57c, 990-993, retrieved from http://www.znaturforsch.com/57c/s57c0990.pdf. [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]
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]
Palá-Paúl, Velasco-Negueruela, et al., 2001
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Analysis of the volatile components of Argyranthemum adauctum (Link.) Humphries by gas chromatography-mass spectrometry,
J. Chromatogr. A, 2001, 923, 1-2, 295-298, https://doi.org/10.1016/S0021-9673(01)01003-2
. [all data]
Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Jayaprakasha, Rao, et al., 2000
Jayaprakasha, G.K.; Rao, L.J.M.; Sakariah, K.K.,
Chemical composition of the flower oil of Cinnamomum zeylanicum blume,
J. Agric. Food Chem., 2000, 48, 9, 4294-4295, https://doi.org/10.1021/jf991395c
. [all data]
da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [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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