Cyclohexanol, 1-methyl-4-(1-methylethylidene)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3
- IUPAC Standard InChIKey: NNRLDGQZIVUQTE-UHFFFAOYSA-N
- CAS Registry Number: 586-81-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: γ-Terpineol; 1-Methyl-4-(1-methylethylidene)cyclohexanol; 1-methyl-4-(1-methylethylidene)cyclohexan-1-ol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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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 | NIST Mass Spectrometry Data Center |
| NIST MS number | 412427 |
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, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 120. | 1185. | Tudor and Moldovan, 1999 | |
| Capillary | SE-30 | 100. | 1185.4 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
| Packed | SE-30 | 100. | 1181. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
| Packed | SE-30 | 120. | 1187. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
| Packed | SE-30 | 140. | 1195. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PTE-5 | 1178. | Gudzic, Dordevic, et al., 2001 | 60. m/0.32 mm/0.39 μm, H2, 4.3 K/min; Tstart: 60. C; Tend: 285. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1183. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1192. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | CP Sil 5 CB | 1177. | Pino, Marbot, et al., 2002 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1217.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | 5 % Phenyl methyl siloxane | 1199. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-Wax | 1696. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1683. | Ferrari, Lablanquie, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1199. | Phungpanya, Thongpoon, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 180. C |
| Capillary | HP-5 | 1198. | Monsef-Esfahani, Miri, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 240. C |
| Capillary | HP-5 MS | 1195. | Pripdeevech, Chumpolsri, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 100. C; Tend: 220. C |
| Capillary | HP-5 MS | 1203. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | DB-5 MS | 1207. | Patil, Jayaprakasha, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 12. min, 2. K/min, 330. C @ 30. min |
| Capillary | DB-5 | 1159. | Yadegarinia, Gachkar, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 250. C |
| Capillary | SPB-5 | 1205. | Cornu, Kondjoyan, et al., 2005 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; Tend: 230. C |
| Capillary | DB-5 | 1199. | Morteza-Semnani and Saeedi, 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; Tend: 220. C |
| Capillary | DB-1 | 1170. | Mahalwal and Ali, 2003 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 250. C |
| Capillary | HP-5 | 1188. | Velickovic, Ristic, et al., 2003 | 25. m/0.32 mm/0.53 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | HP-5 | 1188. | Velickovic, Ristic, et al., 2003 | 25. m/0.32 mm/0.53 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | HP-5 | 1188. | Velickovic, Ristic, et al., 2003 | 25. m/0.32 mm/0.53 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | HP-5 | 1189. | Velickovic, Ristic, et al., 2003 | 25. m/0.32 mm/0.53 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C |
| Capillary | DB-1 | 1169. | Palá-Paúl, Pérez-Alonso, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C |
| Capillary | DB-1 | 1169. | Palá-Paúl, Pérez-Alonso, et al., 1999 | 50. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 70. C; Tend: 240. C |
| Capillary | OV-101 | 1187. | Zenkevich, Kosman, et al., 1999 | He, 6. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1201. | Rao, Maia, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 4 0C/min -> 180 0C 10 0C/min -> 250 0C |
| Capillary | CP Sil 8 CB | 1196. | Judzentiene and Buzelyte, 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | SE-52 | 1199. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | DB-5MS | 1197. | Bagci and Baser, 2005 | 30. m/0.25 mm/0.25 μm; Program: 70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C |
| Capillary | SE-30 | 1161. | Vinogradov, 2004 | Program: not specified |
| Capillary | SE-30 | 1174. | Vinogradov, 2004 | Program: not specified |
| Capillary | SE-30 | 1178. | Li, Wu, et al., 2002 | He; Column length: 60. m; Column diameter: 0.25 mm; Program: 50 0C (5 min) 5 0C/min -> 165 0C 4 0C/min -> 230 0C |
| Capillary | SE-30 | 1177. | Li, Wu, et al., 2002 | He; Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | DB-5 | 1180. | Isidorov, Zenkevich, et al., 1997 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1174. | Zenkevich, 1997 | Program: not specified |
| Capillary | OV-1 | 1146. | De Pooter and Schamp, 1987 | 35. m/0.50 mm/1.5 μm; Program: not specified |
| Capillary | OV-101 | 1160. | Shibamoto, 1987 | Program: not specified |
| Other | Methyl Silicone | 1183. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1695. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min |
| Capillary | HP-Innowax FSC | 1684. | Baser, Kirimer, et al., 1997 | He, 60. C @ 10. min, 4. K/min, 240. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1683. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | Carbowax 20M | 1655. | Vinogradov, 2004 | Program: not specified |
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.
Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D.,
Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation,
J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4
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Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
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Pías and Gascó, 1975
Pías, J.B.; Gascó, L.,
GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols,
J. Chromatogr. - Chrom. Data, 1975, d14-d16. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
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Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses,
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Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
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Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
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Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
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Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
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Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils,
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Yadegarinia, Gachkar, et al., 2006
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Biochemical activities of Iranian Mentha piperita L. and Myrtus communis L. essential oils,
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Cornu, Kondjoyan, et al., 2005
Cornu, A.; Kondjoyan, N.; Martin, B.; Verdier-Metz, I.; Pradel, P.; Berdague, J.-L.; Coulon, J.-B.,
Terpene profiles in Cantal and Saint-Nectairetype cheese made from raw or pasteurised milk,
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Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M.,
The essential oil composition of Phlomis bruguieri Desf. from Iran,
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Mahalwal and Ali, 2003
Mahalwal, V.S.; Ali, M.,
Volatile constituents of Cymbopogon nardus (Linn.) rendle,
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Velickovic, Ristic, et al., 2003
Velickovic, A.S.; Ristic, M.S.; Velickovic, D.T.; Ilic, S.; Mitic, N.D.,
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Palá-Paúl, Pérez-Alonso, et al., 2001
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Palá-Paúl, Pérez-Alonso, et al., 1999
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Ramos-Vázquez, P.; Gómez-Contreras, F.; Sanz, J.,
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Zenkevich, Kosman, et al., 1999
Zenkevich, I.G.; Kosman, V.M.; Tkachenko, K.G.,
Some Features of Quantitative Analysis of Essential Oil's Components in High Performance Liquid Chromatography,
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Rao, Maia, et al., 2007
Rao, V.S.; Maia, J.L.; Oliveira, F.A.; Lemos, T.L.G.; Chaves, M.H.; Santos, F.A.,
Composition and antinociceptive activity of the essential oil from Protium heptaphyllum resin,
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Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
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Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
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Bagci and Baser, 2005
Bagci, E.; Baser, K.H.C.,
Study of the essential oils of Thymus haussknechtii Velen and Thymus kotschyanus Boiss. et Hohen var. kotschyanus (Lamiaceae) taxa from the eastern Anatolian region in Turkey,
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Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Li, Wu, et al., 2002
Li, C.; Wu, H.; Yang, L.; ren, Y.,
Study of the composition of ginger oil from Laifeng,
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Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T.,
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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,
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De Pooter and Schamp, 1987
De Pooter, H.L.; Schamp, N.M.,
The Essential Oil of Mentha X villosa nm. alopecuroides,
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Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
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Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
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. [all data]
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
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Baser, Kirimer, et al., 1997
Baser, K.H.C.; Kirimer, N.; Duman, H.,
Composition of the essential oil of Micromeria dolichodontha P. H. Davis,
Flavour Fragr. J., 1997, 12, 4, 289-291, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<289::AID-FFJ640>3.0.CO;2-A
. [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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