2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m0/s1
- IUPAC Standard InChIKey: HPOHAUWWDDPHRS-VHSXEESVSA-N
- CAS Registry Number: 16721-39-4
- 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: (1R,6R)-6-Isopropyl-3-methylcyclohex-2-enol, rel-; p-Menth-1-en-3-ol, trans-; trans-p-Menth-1-en-3-ol; trans-Piperitol; 6-Isopropyl-3-methyl-2-cyclohexen-1-ol, (E)-; E-Piperitol; trans-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-ol; 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-; Piperitol, trans-; trans-Pipertiol (=trans-p-Menth-1-en-3-ol); (E)-Piperitol acetate; Piperitol isomer; trans-Piperitol (trans-p-menth-1-en-3-ol); trans-piperitol (= trans- pmenth-1-en-3-ol); trans-6-(isopropyl)-3-methylcyclohex-2-en-1-ol
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Normal alkane RI, polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax | RTX-Wax | HP-Innowax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 30. | 30. | 60. |
| Carrier gas | Nitrogen | Helium | N2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.35 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 50. | 70. |
| Tend (C) | 230. | 230. | 240. | 180. | 230. |
| Heat rate (K/min) | 4. | 2. | 5. | 3. | 2. |
| Initial hold (min) | 1. | 2. | |||
| Final hold (min) | 40. | 30. | 4. | 40. | 20. |
| I | 1749. | 1709. | 1675. | 1743. | 1686. |
| Reference | Gauvin-Bialecki and Marodon, 2009 | Museli, Pau, et al., 2009 | Cheraif, Ben Jannet, et al., 2007 | Lee, Umano, et al., 2005 | Choi, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-Wax | NB-351 | FFAP |
| Column length (m) | 60. | 25. | 50. |
| Carrier gas | N2 | H2 | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.3 | |
| Phase thickness (μm) | 0.25 | 0.5 | |
| Tstart (C) | 70. | 70. | 50. |
| Tend (C) | 230. | 250. | 180. |
| Heat rate (K/min) | 2. | 5. | 10. |
| Initial hold (min) | 2. | 1. | |
| Final hold (min) | |||
| I | 1693. | 1689. | 1705. |
| Reference | Tu, Thanh, et al., 2002 | Onocha, Ekundayo, et al., 1999 | Brophy, Davies, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gauvin-Bialecki and Marodon, 2009
Gauvin-Bialecki, A.; Marodon, C.,
Essential oil of Ayapana triplinervis from Reunion island: a good natural source of thymohydroquinone dimethyl ether,
Biochem. Systematics Ecol., 2009, 36, 11, 853-858, https://doi.org/10.1016/j.bse.2008.09.006
. [all data]
Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J.,
Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia,
Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1
. [all data]
Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z.,
Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene,
Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009
. [all data]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
. [all data]
Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
. [all data]
Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M.,
Volatile constituents of Vietnamese pummelo, orange, tangerine and lime peel oils,
Flavour Fragr. J., 2002, 17, 3, 169-174, https://doi.org/10.1002/ffj.1076
. [all data]
Onocha, Ekundayo, et al., 1999
Onocha, P.A.; Ekundayo, O.; Oyelola, O.; Laakso, I.,
Essential oils of Dacryodes edulis (G. Don) H. J. Lam (African pear),
Flavour Fragr. J., 1999, 14, 2, 135-139, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<135::AID-FFJ788>3.0.CO;2-L
. [all data]
Brophy, Davies, et al., 1989
Brophy, J.J.; Davies, N.W.; Southwell, I.A.; Stiff, I.A.; Williams, L.R.,
Gas chromatographic quality control for oil of Melaleuca terpinen-4-ol type (Australian tea tree),
J. Agric. Food Chem., 1989, 37, 5, 1330-1335, https://doi.org/10.1021/jf00089a027
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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