Dihydrocarvyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3
- IUPAC Standard InChIKey: TUSIZTVSUSBSQI-UHFFFAOYSA-N
- CAS Registry Number: 20777-49-5
- 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, 2-methyl-5-(1-methylethenyl)-, acetate, (1α,2β,5α)-; p-Menth-8-en-2-ol, acetate; Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,2R,5R)-rel-; Dihydrocarveol acetate; Dihydrocarveyl acetate; p-Menth-8-en-2-yl acetate; 2-Methyl-5-(1-methylethenyl)cyclohexyl acetate, (1α,2β,5α)-; 5-Isopropenyl-2-methylcyclohexyl acetate, (1α,2β,5α)-; p-Mentha-8-en-2-ol, acetate; Tuberyl acetate; 8-p-Menthen-2-yl acetate; Carhydrine; Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,2R,5R)-rel-; Dihydrocarveol acetate (Isomer 2); 2-Methyl-5-(1-methylethenyl)-cyclohexyl acetate; (1α,2β,5α)-2-methyl-5-(1-methylvinyl)cyclohexyl acetate
- Information on this page:
- Other data available:
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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 | W. KELLY UNILEVER RESEARCH COLWORTH/WELWYN, BEDFORD U.K. |
| NIST MS number | 8643 |
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 | SSP-1 | 1305. | Nagarajan, Rao, et al., 2001 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 2. K/min, 250. C @ 5. min |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1700. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1344. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5MS | 1304. | Skaltsa, Mavrommati, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | BP-1 | 1307. | Baldovini, Ristorcelli, et al., 2000 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Methyl Silicone | 1323. | Sumathykutty, Rao, et al., 1999 | 50. m/0.25 mm/0.17 μm, N2, 2. K/min; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1657. | Baldovini, Ristorcelli, et al., 2000 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1309. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min |
| Capillary | DB-5 | 1306. | Mosayebi, Amin, et al., 2008 | 60. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | DB-5 | 1304. | Machado, Bastos, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | DB-5 | 1344. | Sebastián, Urzúa, et al., 2006 | 15. m/0.2 mm/0.25 μm, He, 60. C @ 2. min, 15. K/min; Tend: 305. C |
| Capillary | DB-1 | 1282. | Shahmir, Ahmadi, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 280. C |
| Capillary | OV-1 | 1292. | De Pooter, De Buyck, et al., 1986 | He, 2. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | OV-1 | 1310. | De Pooter, De Buyck, et al., 1986 | 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 | DB-5 MS | 1304. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-5 | 1305. | Machado, Bastos, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | SE-52 | 1307. | 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 | 1292. | Vinogradov, 2004 | Program: not specified |
| Capillary | SE-30 | 1319. | Vinogradov, 2004 | Program: not specified |
| Capillary | AT-5 | 1305. | Usai, Atzei, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C |
| Capillary | Methyl Silicone | 1292. | Zenkevich, 1999 | Program: not specified |
| Capillary | SF-96 | 1348. | Kawasaki, Matsui, et al., 1998 | Column length: 40. m; Column diameter: 0.28 mm; Program: 75C => 3C/min => 190C(25min) => 3C/min => 210C |
| Capillary | OV-1 | 1289. | De Pooter and Schamp, 1987 | 35. m/0.50 mm/1.5 μm; Program: not specified |
| Capillary | OV-1 | 1308. | De Pooter and Schamp, 1987 | 35. m/0.50 mm/1.5 μm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Stabilwax | 1699. | Jirovetz, Buchbauer, et al., 2005 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1685. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1670. | 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.
Nagarajan, Rao, et al., 2001
Nagarajan, S.; Rao, L.J.M.; Gurudutt, K.N.,
Chemical composition of the volatiles of Hemidesmus indicus R. Br.,
Flavour Fragr. J., 2001, 16, 3, 212-214, https://doi.org/10.1002/ffj.985
. [all data]
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]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Volatiles from leaves, fruits, and virgin oil from Olea europaea Cv. Olivastra Seggianese from Italy,
J. Agric. Food Chem., 2003, 51, 5, 1382-1386, https://doi.org/10.1021/jf020854y
. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [all data]
Baldovini, Ristorcelli, et al., 2000
Baldovini, N.; Ristorcelli, D.; Tomi, F.; Casanova, J.,
Infraspecific variability of the essential oil of Calamintha nepeta from Corsica (France),
Flavour Fragr. J., 2000, 15, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<50::AID-FFJ871>3.0.CO;2-F
. [all data]
Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S.,
Essential oil constituents of some Piper species,
Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0
. [all data]
Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A.,
Effect of habitat on essential oil of Achillea filipendula L. in Iran,
Asian J. Plant Sci., 2008, 7, 8, 779-781, https://doi.org/10.3923/ajps.2008.779.781
. [all data]
Machado, Bastos, et al., 2007
Machado, C.C.B.; Bastos, D.H.M.; Janzantti, N.S.; Facanali, R.; Marques, M.M.; Franco, M.R.B.,
Determinação do perfil de compostos voláteis e avaliação do sabor e aroma de bebidas produzidas a partir da erva-mate (Ilex paraguariensis),
Quim. Nova, 2007, 30, 3, 513-518, https://doi.org/10.1590/S0100-40422007000300002
. [all data]
Sebastián, Urzúa, et al., 2006
Sebastián, B.; Urzúa, A.M.; Vines, M.,
Analysis of surface and volatile compounds of flower heads of introduced plants of Chrysanthemum coronarium L. growing wild in Chile,
Flavour Fragr. J., 2006, 21, 5, 783-785, https://doi.org/10.1002/ffj.1712
. [all data]
Shahmir, Ahmadi, et al., 2003
Shahmir, F.; Ahmadi, L.; Mirza, M.; Korori, S.A.A.,
Secretory elements of needles and berries of Juniperus communis L. ssp. communis and its volatile constituents,
Flavour Fragr. J., 2003, 18, 5, 425-428, https://doi.org/10.1002/ffj.1243
. [all data]
De Pooter, De Buyck, et al., 1986
De Pooter, H.L.; De Buyck, L.F.; Schamp, N.M.,
The Volatiles of Calamintha Nepeta Subsp. Glandulosa,
Phytochemistry, 1986, 25, 3, 691-694, https://doi.org/10.1016/0031-9422(86)88025-6
. [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]
Usai, Atzei, et al., 2003
Usai, M.; Atzei, A.; Pintore, G.; Casanova, I.,
Composition and variability of the essential oil of Sardinian Thymus herba-barona Loisel,
Flavour Fragr. J., 2003, 18, 1, 21-25, https://doi.org/10.1002/ffj.1137
. [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]
Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T.,
Long-chain aldehyde-forming activity in tobacco leaves,
Phytochemistry, 1998, 49, 6, 1565-1568, https://doi.org/10.1016/S0031-9422(98)00236-2
. [all data]
De Pooter and Schamp, 1987
De Pooter, H.L.; Schamp, N.M.,
The Essential Oil of Mentha X villosa nm. alopecuroides,
Flavour Fragr. J., 1987, 2, 4, 163-165, https://doi.org/10.1002/ffj.2730020405
. [all data]
Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Parmentier, M.,
Chemical composition and olfactory characterization of essential oils of fruits and seeds of African pear (Dacryodes edulis (G. Don) H. J. Lam) from Cameroon,
Flavour Fragr. J., 2005, 20, 2, 215-218, https://doi.org/10.1002/ffj.1324
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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