Ethanol, 2-mercapto-
- Formula: C2H6OS
- Molecular weight: 78.133
- IUPAC Standard InChI: InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
- IUPAC Standard InChIKey: DGVVWUTYPXICAM-UHFFFAOYSA-N
- CAS Registry Number: 60-24-2
- 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. - Other names: β-Hydroxyethanethiol; β-Hydroxyethylmercaptan; β-Mercaptoethanol; Ethylene glycol, monothio-; Monothioethylene glycol; Monothioglycol; Thioethylene glycol; Thioglycol; Thiomonoglycol; 1-Ethanol-2-thiol; 1-Hydroxy-2-mercaptoethane; 1-Mercapto-2-hydroxyethane; 2-Hydroxy-1-ethanethiol; 2-Hydroxyethanethiol; 2-Hydroxyethyl mercaptan; 2-Mercapto-1-ethanol; 2-Mercaptoethanol; 2-Mercaptoethyl alcohol; 2-ME; Hydroxyethyl mercaptan; Mercaptoethanol; USAF EK-4196; 2-Thioethanol; Emery 5791; UN 2966; NSC 3723; 2-Sulfanylethanol; 2-Sulfanylethan-1-ol
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Gas Chromatography
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
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-FFAP | 1498. | Huynh-Ba, Matthey-Doret, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min) |
| Capillary | DB-FFAP | 1498. | Huynh-Ba, Matthey-Doret, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 725. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 722. | 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 | 717. | 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 | 717. | Vermeulen, Lejeune, et al., 2006 | 50. m/0.32 mm/1.2 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) |
| Capillary | SPB-1 | 724. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | SPB-1 | 724. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1538. | 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 | 1501. | 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 | 1501. | Vermeulen, Lejeune, et al., 2006 | 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.
Huynh-Ba, Matthey-Doret, et al., 2003
Huynh-Ba, T.; Matthey-Doret, W.; Fay, L.B.; Rhlid, R.B.,
Generation of thiols by biotransformation of cysteine-aldehyde conjugates with Baker's yeast,
J. Agric. Food Chem., 2003, 51, 12, 3629-3635, https://doi.org/10.1021/jf026198j
. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [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]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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