Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1α,2α,5β)-

Formula: C₁₀H₁₈O
Molecular weight: 154.2493
IUPAC Standard InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3
IUPAC Standard InChIKey: KRCZYMFUWVJCLI-UHFFFAOYSA-N
CAS Registry Number: 18675-33-7
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: p-Menth-8-en-2-ol, cis-1,2,trans-1,4-; Neodihydrocarveol; 5-Isopropenyl-2-methylcyclohexanol, (1α,2α,5β)-; Dihydro carveol neo; (1R,2S,5S)-neodihydrocarveol; Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5S)-rel-; Neocarveol, dihydro-; neo-iso-Dihydrocarveol
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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	PB-1	130.	1189.	Engewald, Knobloch, et al., 1991	Column length: 42. m; Column diameter: 0.32 mm

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1220.	Avato, Raffo, et al., 2004	30. m/0.25 mm/0.25 μm, H2, 4. K/min, 280. C @ 30. min; T_start: 40. C
Capillary	SE-30	1192.	Juliani, Koroch, et al., 2002	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 240. C

Kovats' RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1710.	Avato, Raffo, et al., 2004	30. m/0.25 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min, 260. C @ 15. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1232.	Melkani, Dev, et al., 2005	30. m/0.25 mm/0.25 μm, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
Capillary	HP-5MS	1226.	Afsharypuor and Jahromy, 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 275. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SE-30	1210.	Vinogradov, 2004	Program: not specified
Capillary	SE-30	1212.	Vinogradov, 2004	Program: not specified
Capillary	CP Sil 5 CB	1180.	Weyerstahl, Marschall, et al., 1998	He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Innowax FSC	1783.	Kosar, Özek, et al., 2005	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	Carbowax 20M	1735.	Vinogradov, 2004	Program: not specified
Capillary	Carbowax 20M	1777.	Vinogradov, 2004	Program: not specified
Capillary	HP-Innowax	1732.	Gören, Demirci, et al., 2001	60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C

References

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Engewald, Knobloch, et al., 1991
Engewald, W.; Knobloch, T.; Haufe, G.; Muller, M.; Pohris, V., A Novel Method for Terpene Pattern Determination of Essential Oils by Selectivity Tuning in GC, Fresenius' J. Anal. Chem., 1991, 341, 10, 641-643, https://doi.org/10.1007/BF00322279 . [all data]

Avato, Raffo, et al., 2004
Avato, P.; Raffo, F.; Aldouri, N.A.; Vartanian, S.T., Essential oils of varthemia iphionoides from Jordan, Flavour Fragr. J., 2004, 19, 6, 559-561, https://doi.org/10.1002/ffj.1351 . [all data]

Juliani, Koroch, et al., 2002
Juliani, H.R., Jr.; Koroch, A.R.; Juliani, H.R.; Trippi, V.S.; Zygadlo, J.A., Intraespecific variation in leafoils of Lippia junelliana (mold.) tronc, Biochem. Syst. Ecol., 2002, 30, 2, 163-170, https://doi.org/10.1016/S0305-1978(01)00067-9 . [all data]

Melkani, Dev, et al., 2005
Melkani, A.B.; Dev, V.; Beauchamp, P.S.; Negi, A.; Mehta, S.P.S.; Melkani, K.B., Constituents of the essential oil of a new chemotype of Elsholtzia strobilifera Benth., Biochem. Syst. Ecol., 2005, 33, 4, 419-425, https://doi.org/10.1016/j.bse.2004.10.009 . [all data]

Afsharypuor and Jahromy, 2003
Afsharypuor, S.; Jahromy, M.M., Constituents of the essential oil from Tanacetum lingulatum (Boiss.) Bornm., J. Essent. Oil Res., 2003, 15, 2, 74-76, https://doi.org/10.1080/10412905.2003.9712069 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]

Kosar, Özek, et al., 2005
Kosar, M.; Özek, T.; Göger, F.; Kürkcüoglu, M.; Hüsnü Can Baser, K., Comparison of Microwave-Assisted Hydrodistillation and Hydrodistillation Methods for the Analysis of Volatile Secondary Metabolites, Pharm. Biol., 2005, 43, 6, 491-495, https://doi.org/10.1080/13880200500220136 . [all data]

Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C., Composition of the essential oils of Tanacetum spp. from Turkey, Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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