Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2β,5β)-
- Formula: C12H22O2
- Molecular weight: 198.3019
- IUPAC Standard InChI: InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+/m0/s1
- IUPAC Standard InChIKey: XHXUANMFYXWVNG-ZMLRMANQSA-N
- CAS Registry Number: 20777-45-1
- 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: Menthol, acetate, iso-; Isomenthol acetate; Isomenthyl acetate
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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. |
|---|---|
| NIST MS number | 8831 |
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 |
|---|---|---|---|---|---|
| Packed | Apiezon L | 150. | 1251. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1282. | von Poser, Menut, et al., 1996 | 25. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SF-96 | 1283. | Malingré and Maarse, 1974 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 130. | 1579. | Malingré and Maarse, 1974 | Column length: 150. m; Column diameter: 0.75 mm |
| Packed | Carbowax 20M | 150. | 1599. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1305. | Phungpanya, Thongpoon, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 180. C |
| Capillary | DB-1 | 1280. | Salehi, Sonboli, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | HP-5MS | 1318. | Slavkovska, Couladis, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | OV-101 | 1295. | De Pooter and Schamp, 1986 | 30. m/0.5 mm/0.8 μm, He, 2. K/min; Tstart: 40. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1305. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SE-30 | 1291. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1291. | Zenkevich, 1999 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1547. | Salehi, Sonboli, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 4. K/min, 250. C @ 10. min; Tstart: 40. C |
| Capillary | HP-Innowax FSC | 1594. | 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 | Carbowax 20M | 1589. | 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.
ter Heide, 1968
ter Heide, R.,
Studies on terpenes. II. Characterization of monoterpene esters by gas and thin-layer chromatography,
Z. Anal. Chem., 1968, 236, 215-227. [all data]
von Poser, Menut, et al., 1996
von Poser, G.L.; Menut, C.; Toffoli, M.E.; Vérin, P.; Sobral, M.; Bessière, J.-M.; Lamaty, G.; Henriques, A.T.,
Essential oil composition and allelopathic effect of the Brazilian Lamiaceae Hesperozygis ringens (Benth.) Epling and Hesperozygis rhododon Epling,
J. Agric. Food Chem., 1996, 44, 7, 1829-1832, https://doi.org/10.1021/jf950653c
. [all data]
Malingré and Maarse, 1974
Malingré, T.M.; Maarse, H.,
Composition of the essential oil of Mentha aquatica,
Phytochemistry, 1974, 13, 8, 1531-1535, https://doi.org/10.1016/0031-9422(74)80322-5
. [all data]
Phungpanya, Thongpoon, et al., 2012
Phungpanya, C.; Thongpoon, C.; Pripdeevech, P.; Machan, T.,
Analysis of aroma volatiles from fresh leaves of Plectranthus amboinicus using solid phase microextraction (SPME) technique, Pure and Applied Chemistry International Conference 2012 (PACCON 2012), 2012, 16701672. [all data]
Salehi, Sonboli, et al., 2005
Salehi, P.; Sonboli, A.; Eftekhar, F.; Nejad-Ebrahimi, S.; Yousefzadi, M.,
Essential Oil Composition, Antibacterial and Antioxidant Activity of the Oil and Various Extracts of Ziziphora clinopodioides subsp. rigida (BOISS.) RECH. f. from Iran,
Biol. Pharm. Bull., 2005, 28, 10, 1892-1896, https://doi.org/10.1248/bpb.28.1892
. [all data]
Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R.,
Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro,
Plant Systematics and Evolution, 2005, 255, 1-2, 1-15, https://doi.org/10.1007/s00606-005-0303-y
. [all data]
De Pooter and Schamp, 1986
De Pooter, H.L.; Schamp, N.M.,
Comparison of the Volatile Composition of Some Calamintha/Satureja Species,
Prog. Essnt. Oil. Res., 1986, 139-150. [all data]
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,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [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, 1999
Zenkevich, I.G.,
Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols,
Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [all data]
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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