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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Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 161729 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
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, Mass spectrum (electron ionization), 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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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