3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- 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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Normal alkane RI, non-polar column, custom temperature program
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-5 | HP-5 | DB-1 | DB-5 | CP Sil 8 CB |
Column length (m) | 25. | 25. | 60. | 25. | 30. |
Carrier gas | Helium | Helium | Helium | Nitrogen | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.17 | 0.17 | 0.25 | 0.25 | 0.25 |
Program | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) | not specified | 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) | not specified | 60C => 2.5C/min => 170C => 10C/min => 250C (5min) |
I | 1669. | 1675. | 1666. | 1666. | 1671. |
Reference | Custer, 2009 | Custer, 2009 | Delort and Jaquier, 2009 | Chieng, Assim, et al., 2008 | Kristiawan, Sobolik, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | DB-5 | HP-5MS | SE-30 | SE-54 |
Column length (m) | 30. | 30. | 30. | 25. | |
Carrier gas | Helium | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C | 40C (5min) => 2C/min => 250C(15min) => 5C/min => 270C (10min) | 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C | not specified | 110C(2min) => 3C/min => 130C => 8.5C => 290C |
I | 1673. | 1671. | 1683. | 1658. | 1666. |
Reference | Setzer, Stokes, et al., 2007 | Massardo, Senatore, et al., 2006 | Senatore, Apostolides Arnold, et al., 2006 | Vinogradov, 2004 | Lima, Veiga, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | Methyl Silicone | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 50. | 25. | 25. | 25. | |
Carrier gas | He | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | ||||
Phase thickness (μm) | 0.25 | ||||
Program | 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) | not specified | not specified | not specified | not specified |
I | 1671. | 1664. | 1657. | 1659. | 1657. |
Reference | Mockute, Nivinskiene, et al., 2003 | Bakshu and Raju, 2002 | Weyerstahl, Marschall, et al., 2000 | Weyerstahl, Marschall, et al., 1998 | Weyerstahl, Marschall, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Polydimethyl siloxanes |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1658. |
Reference | Zenkevich, 1997 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922
. [all data]
Chieng, Assim, et al., 2008
Chieng, T.C.; Assim, Z.B.; Fasihuddin, B.A.,
Toxicity and antitermite activities of the essential oils from Piper sarmentosum,
The Malaysian J. Anal. Sci., 2008, 12, 1, 234-239. [all data]
Kristiawan, Sobolik, et al., 2008
Kristiawan, M.; Sobolik, V.; Al-Haddad, M.; Allaf, K.,
Effect of pressure-drop rate on the isolation of cananga oil using instantaneous controlled pressure-drop process,
Chem. Eng. Processing, 2008, 47, 1, 66-75, https://doi.org/10.1016/j.cep.2007.08.011
. [all data]
Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H.,
Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components,
Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]
Massardo, Senatore, et al., 2006
Massardo, D.R.; Senatore, F.; Alifano, P.; del Giudice, L.; Pontieri, P.,
Vetiver oil production correlates with early root growth,
Biochem. Syst. Ecol., 2006, 34, 5, 376-382, https://doi.org/10.1016/j.bse.2005.10.016
. [all data]
Senatore, Apostolides Arnold, et al., 2006
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.; Formisano, C.,
Chemical composition of the essential oil of Salvia microstegia Boiss. et Balansa growing wild in Lebanon,
J. Chromatogr. A, 2006, 1108, 2, 276-278, https://doi.org/10.1016/j.chroma.2006.01.066
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Lima, Veiga, et al., 2003
Lima, S.R.M.; Veiga, V.F., Jr.; Christo, H.B.; Pinto, A.C.; Fernandes, P.D.,
In vivo and in vitro studies on the anticancer activity of Copaifera multijuga Hayne and its fractions,
Phytother. Res., 2003, 17, 9, 1048-1053, https://doi.org/10.1002/ptr.1295
. [all data]
Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R.,
The cis-thujone chemotype of Salvia officinalis L. essential oils,
Chemija, 2003, 14, 4, 216-220. [all data]
Bakshu and Raju, 2002
Bakshu, L.Md.; Raju, R.R.V.,
Essential oil composition and antimicrobial activity of tuberous roots of Pimpinella tirupatiensis Bal. Subr., an endemic taxon from eastern ghats, India,
Flavour Fragr. J., 2002, 17, 6, 413-415, https://doi.org/10.1002/ffj.1118
. [all data]
Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H.,
Constituents of Haitian vetiver oil,
Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Wolf, D.,
Constituents of commercial Brazilian cabore oil,
Flavour Fragr. J., 1998, 13, 2, 85-86, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<85::AID-FFJ697>3.0.CO;2-9
. [all data]
Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Kaul, V.K.,
Constituents of the flower essential oil of Ageratina adenophora (Spreng.) K. et R. from India,
Flavour Fragr. J., 1997, 12, 6, 387-396, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<387::AID-FFJ677>3.0.CO;2-F
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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