1-Propanol, 3-mercapto-
- Formula: C3H8OS
- Molecular weight: 92.160
- IUPAC Standard InChI: InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2
- IUPAC Standard InChIKey: SHLSSLVZXJBVHE-UHFFFAOYSA-N
- CAS Registry Number: 19721-22-3
- 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-mercapto-3-propanol; 3-mercaptopropanol; 3-Mercapto-1-propanol; 3-Sulfanylpropan-1-ol
- Information on this page:
- Other data available:
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Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 798. | Kubec, Velísek, et al., 1997 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 849. | Gros, Nizet, et al., 2011 | 50. m/0.32 mm/1.20 μm, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) |
| Capillary | CP Sil 5 CB | 840. | Vermeulen and Collin, 2006 | 50. m/0.32 mm/1.2 μm; Program: 40 0C (4 min) 2 0C/min -> 132 0C 10 0C/min -> 250 0C (15 min) |
| Capillary | CP Sil 5 CB | 840. | Vermeulen, Lejeune, et al., 2006 | 50. m/0.32 mm/1.2 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1620. | Gros, Nizet, et al., 2011 | 25. m/0.32 mm/0.30 μm, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) |
| Capillary | CP-Wax 58CB | 1665. | Vermeulen and Collin, 2006 | 25. m/0.32 mm/0.30 μm; Program: 40 0C (4 min) 2 0C/min -> 132 0C 10 0C/min -> 250 0C (15 min) |
| Capillary | FFAP | 1665. | Vermeulen, Lejeune, et al., 2006 | 25. m/0.32 mm/0.3 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) |
| Capillary | FFAP | 1665. | Vermeulen, Guyot-Declerck, et al., 2003 | 25. m/0.32 mm/0.3 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(15min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kubec, Velísek, et al., 1997
Kubec, R.; Velísek, J.; Dolezal, M.; Kubelka, V.,
Sulfur-containing volatiles arising by thermal degradation of alliin and deoxyalliin,
J. Agric. Food Chem., 1997, 45, 9, 3580-3585, https://doi.org/10.1021/jf970071q
. [all data]
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]
Vermeulen and Collin, 2006
Vermeulen, C.; Collin, S.,
Combinatorial Synthesis and Screening of Nover Odorants such as Polyfunctional Thiols,
Combinatorial Chem. High Throghput Screening, 2006, 9, 8, 583-590, https://doi.org/10.2174/138620706778249712
. [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]
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
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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