3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m0/s1
- IUPAC Standard InChIKey: WTVHAMTYZJGJLJ-LSDHHAIUSA-N
- CAS Registry Number: 15352-77-9
- 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: β-Bisabolol
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- Other data available:
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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 | BP-1 | DB-5 | SPB-1 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 25. | 30. | |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 60. | 50. | 40. | 60. |
| Tend (C) | 220. | 240. | 250. | 280. | |
| Heat rate (K/min) | 5. | 3. | 2. | 3. | 3. |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 3. | 5. | 5. | ||
| I | 1662. | 1671. | 1663. | 1671. | 1672. |
| Reference | Srivastava, Srivastava, et al., 2006 | Shatar S., 2005 | Yadav, Chauhan, et al., 2004 | Amparo Blázquez, Pérez, et al., 2003 | Lucero, Estell, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | BP-1 | DB-1 | DB-1 | DB-5 |
| Column length (m) | 30. | 25. | 28. | 30. | 30. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.55 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 50. | 40. | 60. |
| Tend (C) | 225. | 220. | 270. | 260. | 180. |
| Heat rate (K/min) | 2. | 5. | 4.5 | 2. | 2. |
| Initial hold (min) | 2. | 1. | 5. | ||
| Final hold (min) | 5. | 15. | 20. | ||
| I | 1652. | 1659. | 1668. | 1643. | 1660. |
| Reference | Jayaprakasha, Rao, et al., 2002 | Raina, Srivastava, et al., 2002 | Nagalakshmi, Thangadurai, et al., 2001 | Senatore and Rigano, 2001 | Rao, Rout, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | 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.
Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
. [all data]
Shatar S., 2005
Shatar S.,
Essential oil of Ferula ferulaoides from Western Mongolia,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 5, 607-608, https://doi.org/10.1007/s10600-005-0222-8
. [all data]
Yadav, Chauhan, et al., 2004
Yadav, A.R.; Chauhan, A.S.; Rekha, M.N.; Rao, L.J.M.; Ramteke, R.S.,
Flavour quality of dehydrated lime [Citrus aurantifolia (Christm.) Swingle],
Food Chem., 2004, 85, 1, 59-62, https://doi.org/10.1016/j.foodchem.2003.06.002
. [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]
Lucero, Estell, et al., 2003
Lucero, M.E.; Estell, R.E.; Frederickson, E.L.,
The essential oil composition of Psorothamnus scoparius (A. Gray) Rydb.,
J. Essent. Oil Res., 2003, 15, 2, 108-111, https://doi.org/10.1080/10412905.2003.9712083
. [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]
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]
Nagalakshmi, Thangadurai, et al., 2001
Nagalakshmi, M.A.H.; Thangadurai, D.; Anuradha, T.; Pullaiah, T.,
Essential oil constituents of Melia dubia, a wild relative of Azadirachta indica growing in the Eastern Ghats of Peninsular India,
Flavour Fragr. J., 2001, 16, 4, 241-244, https://doi.org/10.1002/ffj.986
. [all data]
Senatore and Rigano, 2001
Senatore, F.; Rigano, D.,
Essential oil of two Lippia spp. (Verbenaceae) growing wild in Guatemala,
Flavour Fragr. J., 2001, 16, 3, 169-171, https://doi.org/10.1002/ffj.972
. [all data]
Rao, Rout, et al., 2000
Rao, Y.R.; Rout, P.K.; Jena, K.S.; Sahu, S.B.,
Composition of essential oil of citronella (Cymbopogon winterianus jowitt) grown in coastal Orissa,
Fafai J., 2000, 2, 4, 29-31. [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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