3-Mercaptohexanol
- Formula: C6H14OS
- Molecular weight: 134.240
- IUPAC Standard InChI: InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
- IUPAC Standard InChIKey: TYZFMFVWHZKYSE-UHFFFAOYSA-N
- CAS Registry Number: 51755-83-0
- 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:
- Other names: 1-Hexanol, 3-mercapto-; 3-Mercapto-1-hexanol; 3-Mercaptohexan-1-ol; 3-Sulfanylhexan-1-ol; 3-Sulphanylhexan-1-ol; 3-Sulfanyl-1-hexanol
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, polar column, custom temperature program
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 | FFAP | FFAP | FFAP | FFAP-CB | FFAP |
| Column length (m) | 25. | 25. | 25. | 25. | 25. |
| Carrier gas | Nitrogen | Nitrogen | Nitrogen | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.30 | 0.30 | 0.30 | 0.30 | 0.3 |
| Program | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C | 36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 230 0C | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C |
| I | 1858. | 1853. | 1853. | 1853. | 1853. |
| Reference | Gros, Nizet, et al., 2011 | Bailly and Collin, 2010 | Bailly, Jerkovic, et al., 2009 | Bailly, Jerkovic, et al., 2006 | Bailly, Jerkovic, et al., 2006, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | FFAP | CP-WAX 57CB | FFAP |
| Column length (m) | 25. | 50. | 25. |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.3 | 0.2 | 0.3 |
| Program | 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) | 40C(10min) => 5C/min => 100C => 3C/min => 180C => 20C/min => 210C (10min) | 40C(4min) => 2C/min => 132C => 10C/min => 250C(15min) |
| I | 1853. | 1871. | 1853. |
| Reference | Vermeulen, Lejeune, et al., 2006 | Martí, Mestres, et al., 2003 | Vermeulen, Guyot-Declerck, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gros, Nizet, et al., 2011
Gros, J.; Nizet, S.; Collin, S.,
Occurence of odorant polyfunctional thiols in the Super Alpha Tomahawk Hop cultivar. Comparison with the thiol-rich Nelson Sauvin bitter variety,
J. Agric. Food Chem., 2011, 59, 16, 8853-8865, https://doi.org/10.1021/jf201294e
. [all data]
Bailly and Collin, 2010
Bailly, S.; Collin, S.,
Fate of polyunsaturated thiols in sauternes wines through ageing
in Expression of Multidisciplinary Flavour Sci., Blank, I.; Wust, M.; Yertzian, C., ed(s)., Zhaw Ed., 2010, 227-230, retrieved from https://home.zhaw.ch/tildayere/pdf/Teil58-Expression of Multidisciplinary.pdf. [all data]
Bailly, Jerkovic, et al., 2009
Bailly, S.; Jerkovic, V.; Meuree, A.; Timmermans, A.; Collin, S.,
Fate of key odorants in Sauternes wines through aging,
J. Agric. Food Chem., 2009, 57, 18, 8557-8563, https://doi.org/10.1021/jf901429d
. [all data]
Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Collin, S.,
Identification of key-odorants in Sauternes wines, Identification of key-odorants in Sauternes wines, 5th International Terroir Congress, 2006, 4. [all data]
Bailly, Jerkovic, et al., 2006, 2
Bailly, S.; Jerkovic, V.; Marchand-Brynaert, J.; Collin, S.,
Aroma Extraction Dilution Analysis of Sauternes Wines. Key Role of Polyfunctional Thiols,
J. Agric. Food Chem., 2006, 54, 19, 7227-7234, https://doi.org/10.1021/jf060814k
. [all data]
Vermeulen, Lejeune, et al., 2006
Vermeulen, C.; Lejeune, I.; Tran, T.T.H.; Collin, S.,
Occurrence of polyfunctional thiols in fresh lager beers,
J. Agric. Food Chem., 2006, 54, 14, 5061-5068, https://doi.org/10.1021/jf060669a
. [all data]
Martí, Mestres, et al., 2003
Martí, M.P.; Mestres, M.; Sala, C.; Busto, O.; Guasch, J.,
Solid-phase microextraction and gas chromatography olfactometry analysis of successively diluted samples. A new approach of the aroma extract dilution analysis applied to the characterization of wine aroma,
J. Agric. Food Chem., 2003, 51, 27, 7861-7865, https://doi.org/10.1021/jf0345604
. [all data]
Vermeulen, Guyot-Declerck, et al., 2003
Vermeulen, C.; Guyot-Declerck, C.; Collin, S.,
Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues,
J. Agric. Food Chem., 2003, 51, 12, 3623-3628, https://doi.org/10.1021/jf0212340
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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