Isopulegol
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChIKey: ZYTMANIQRDEHIO-AEJSXWLSSA-N
- CAS Registry Number: 89-79-2
- 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: Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R-(1α,2β,5α)]-; p-Menth-8-en-3-ol, (1R,3R,4S)-(-)-; (-)-Isopulegol; L-isopulegol; 2-Isopropenyl-5-methylcyclohexanol-, (1R-(1alpha,2beta,5alpha))-; p-Menth-8(9)-en-3-ol; (1R,2S,5R)-5-Methyl-2-(prop-1-en-2-yl)cyclohexanol
- Information on this page:
- Other data available:
- Options:
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 | SPB-1 | SPB-1 | HP-5 MS | Methyl Silicone | SE-30 |
Column length (m) | 50. | 50. | 30. | ||
Carrier gas | Helium | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) | 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | not specified | not specified |
I | 1137. | 1137. | 1146. | 1141. | 1145. |
Reference | Díaz-Maroto, Castillo, et al., 2007 | Díaz-Maroto, Castillo, et al., 2007 | Schmidt, Noletto, et al., 2006 | Fu and Wang, 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | HP-1 | DB-5 | Polydimethyl siloxanes | 5 % Phenyl methyl siloxane |
Column length (m) | 12. | ||||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.20 | ||||
Phase thickness (μm) | 0.33 | ||||
Program | not specified | 40 0C 6.7 0C/min -> 87 0C (9 min) 10 0C/min -> 187 0C | not specified | not specified | not specified |
I | 1135. | 1124. | 1146. | 1136. | 1143. |
Reference | Vinogradov, 2004 | Betts, 2000 | Isidorov, Zenkevich, et al., 1997 | Zenkevich, 1997 | Sagrero-Nieves and Bartley, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed |
---|---|---|
Active phase | OV-101 | OV-101 |
Column length (m) | 2.5 | |
Carrier gas | N2 | |
Substrate | Chromosorb G 60-80mesh DMCS | |
Column diameter (mm) | ||
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 1145. | 1133. |
Reference | Shibamoto, 1987 | Swigar and Silverstein, 1981 |
Comment | MSDC-RI | 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.
Díaz-Maroto, Castillo, et al., 2007
Díaz-Maroto, M.C.; Castillo, N.; Castro-Vázquez, L.; González-Viñas, M.A.; Pérez-Coello, M.S.,
Volatile composition and olfactory profile of pennyroyal (Mentha pulegium L.) plants,
Flavour Fragr. J., 2007, 22, 2, 114-118, https://doi.org/10.1002/ffj.1766
. [all data]
Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N.,
Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas,
J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04
. [all data]
Fu and Wang, 2004
Fu, S.-P.; Wang, Y.-Q.,
Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector,
J. Chongqing Univ., 2004, 27, 6, 106-109. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Betts, 2000
Betts, T.J.,
Solid phase microextraction of volatile constituents from individual fresh Eucalyptis leaves of three species,
Planta Medica, 2000, 66, 2, 193-195, https://doi.org/10.1055/s-0029-1243133
. [all data]
Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T.,
Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants,
Chem. Anal. (Warsaw), 1997, 42, 627-634. [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]
Sagrero-Nieves and Bartley, 1995
Sagrero-Nieves, L.; Bartley, J.P.,
Volatile Constituents from the Leaves of Chenopodium ambrosioides L.,
J. Essent. Oil Res., 1995, 7, 2, 221-223, https://doi.org/10.1080/10412905.1995.9698506
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [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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