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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Phase change data
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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 506.2 | K | N/A | Aldrich Chemical Company Inc., 1990 |
Gas Chromatography
Go To: Top, Phase change data, 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, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
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Chemical composition of the volatiles of Hemidesmus indicus R. Br.,
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Studies on terpenes. II. Characterization of monoterpene esters by gas and thin-layer chromatography,
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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,
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Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
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Baldovini, Ristorcelli, et al., 2000
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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
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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
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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]
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Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A.,
Effect of habitat on essential oil of Achillea filipendula L. in Iran,
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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),
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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,
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Shahmir, Ahmadi, et al., 2003
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Secretory elements of needles and berries of Juniperus communis L. ssp. communis and its volatile constituents,
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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,
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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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Vinogradov, 2004
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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,
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Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T.,
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De Pooter, H.L.; Schamp, N.M.,
The Essential Oil of Mentha X villosa nm. alopecuroides,
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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,
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Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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