trans-Sobrerol
- Formula: C10H18O2
- Molecular weight: 170.2487
- IUPAC Standard InChI: InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m0/s1
- IUPAC Standard InChIKey: OMDMTHRBGUBUCO-DTWKUNHWSA-N
- CAS Registry Number: 42370-41-2
- 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: p-Menth-6-en-2,8-diol, trans; trans-5-hydroxy-α,α,4-trimethylcyclohex-3-ene-1-methanol; (+) 5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol (trans-sobrerol)
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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: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 8.219 | 404.9 | DSC | Li, Zell, et al., 1999 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1384. | Lalel, Singh, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min |
| Capillary | HP-5MS | 1382. | Lalel, Singh, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min |
| Capillary | DB-1 | 1350. | Muselli, Hoi, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 3. min, 3. K/min; Tend: 220. C |
| Capillary | DB-5 | 1386. | Sakho, Chassagne, et al., 1997 | H2, 60. C @ 3. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1403. | Kilic, Kollmannsberger, et al., 2005 | He, 5. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 100. C; Tend: 250. C |
| Capillary | SPB-5 | 1389. | Fontanille, le Flèche, et al., 2002 | 30. m/0.32 mm/0.25 μm, N2, 80. C @ 5. min, 20. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1399. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
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.
Li, Zell, et al., 1999
Li, Z. Jane; Zell, Mark T.; Munson, Eric J.; Grant, David J.W.,
Characterization of racemic species of chiral drugs using thermal analysis, thermodynamic calculation, and structural studies,
J. Pharm. Sci., 1999, 88, 3, 337-346, https://doi.org/10.1021/js980205u
. [all data]
Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S.,
Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity,
Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8
. [all data]
Muselli, Hoi, et al., 1999
Muselli, A.; Hoi, T.M.; Cu, L.D.; Moi, L.D.; Bessière, J.-M.; Bighelli, A.; Casanova, J.,
Composition of the essential oil of Acanthopanax trifoliatus (L.) Merr. (Araliacaea) from Vietnam,
Flavour Fragr. J., 1999, 14, 1, 41-44, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<41::AID-FFJ781>3.0.CO;2-B
. [all data]
Sakho, Chassagne, et al., 1997
Sakho, M.; Chassagne, D.; Crouzet, J.,
African mango glycosidically bound volatile compounds,
J. Agric. Food Chem., 1997, 45, 3, 883-888, https://doi.org/10.1021/jf960277b
. [all data]
Kilic, Kollmannsberger, et al., 2005
Kilic, A.; Kollmannsberger, H.; Nitz, S.,
Glycosidically bound volatiles and flavor precursors in Laurus nobilis L.,
J. Agric. Food Chem., 2005, 53, 6, 2231-2235, https://doi.org/10.1021/jf040373+
. [all data]
Fontanille, le Flèche, et al., 2002
Fontanille, P.; le Flèche, A.; Larroche, C.,
Pseudomonas rhodesiae PF1: a new and efficient biocatalyst for production of isonovalal from α-pinene oxide,
Biocatal. Biotransform., 2002, 20, 6, 413-421, https://doi.org/10.1080/1024242021000058702
. [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]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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