Cyclohexanemethanol, α,α,4-trimethyl-, trans-
- Formula: C10H20O
- Molecular weight: 156.2652
- IUPAC Standard InChIKey: UODXCYZDMHPIJE-KYZUINATSA-N
- CAS Registry Number: 5114-00-1
- 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: trans -α-Dihydroterpineol; trans-Dihydro-α-terpineol; 2-(4-Methylcyclohexyl)-2-propanol, trans-; trans-p-Menth-8-ol; (E)-p-Menthan-8-ol; trans-α,α,4-trimethylcyclohexanemethanol
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Chemical Concepts |
NIST MS number | 160811 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1165. | Tzakou, Harvala, et al., 2000 | 50. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1160. | Dob, Dahmane, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 3. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-5 | 1164. | Oliveira, Campos, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C => 3C/min => 240C => 10C/min => 280C(10min) |
Capillary | CBP-5 | 1161. | Azevedo, Campos, et al., 2002 | 50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 3C/min => 240C => 10C/min => 280C(10min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1158. | Sajjadi, 2005 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | DB-5 | 1157. | Caredda, Marongiu, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
Capillary | DB-5 | 1162. | Zoghbi, Andrade, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 1143. | El-Shazily, Hafez, et al., 2004 | Program: not specified | |
Capillary | SE-30 | 1156. | Vinogradov, 2004 | Program: not specified |
Capillary | Polydimethyl siloxanes | 1156. | Zenkevich, 1997 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1560. | Kollmannsberger, Nitz, et al., 1992 | 45. m/0.32 mm/1.0 μm, Hydrogen, 60. C @ 5. min, 2. K/min; Tend: 200. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tzakou, Harvala, et al., 2000
Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R.,
Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica,
Flavour Fragr. J., 2000, 15, 2, 115-118, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<115::AID-FFJ877>3.0.CO;2-9
. [all data]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C.,
Essential oil composition of Lavandula stoechas from Algeria,
Pharm. Biol., 2006, 44, 1, 60-64, https://doi.org/10.1080/13880200500496421
. [all data]
Oliveira, Campos, et al., 2005
Oliveira, M.J.; Campos, I.F.P.; Oliveira, C.B.A.; Santos, M.R.; Souza, P.S.; Santos, S.C.; Seraphin, J.C.; Ferri, P.H.,
Influence of growth phase on the essential oil composition of Hyptis suaveolens,
Biochem. Syst. Ecol., 2005, 33, 3, 275-285, https://doi.org/10.1016/j.bse.2004.10.001
. [all data]
Azevedo, Campos, et al., 2002
Azevedo, N.R.; Campos, I.F.P.; Ferreira, H.D.; Portes, T.A.; Seraphin, J.C.; de Paula, J.R.; Santos, S.C.; Ferri, P.H.,
Essential oil chemotypes in Hyptis suaveolens from Brazilian Cerrado,
Biochem. Syst. Ecol., 2002, 30, 3, 205-216, https://doi.org/10.1016/S0305-1978(01)00075-8
. [all data]
Sajjadi, 2005
Sajjadi, S.E.,
Analysis of the essential oil of Nepeta sintenisii Bornm. from Iran,
DARU, 2005, 13, 2, 61-64. [all data]
Caredda, Marongiu, et al., 2002
Caredda, A.; Marongiu, B.; Porcedda, S.; Soro, C.,
Supercritical carbon dioxide extraction and characterization of Laurus nobilis essential oil,
J. Agric. Food Chem., 2002, 50, 6, 1492-1496, https://doi.org/10.1021/jf0108563
. [all data]
Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
The essential oil of Vitex angus-castus L. growing in the Amazon region,
Flavour Fragr. J., 1999, 14, 4, 211-213, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<211::AID-FFJ812>3.0.CO;2-W
. [all data]
El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M.,
Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt,
Pharmazie, 2004, 59, 226-230. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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]
Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F.,
UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok),
Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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