Ethanol, 2-(methylthio)-
- Formula: C3H8OS
- Molecular weight: 92.160
- IUPAC Standard InChI: InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: WBBPRCNXBQTYLF-UHFFFAOYSA-N
- CAS Registry Number: 5271-38-5
- 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: Hydroxyethyl methyl sulfide; β-Hydroxyethyl methyl sulfide; 2-Hydroxyethyl methyl sulfide; Methyl 2-hydroxyethyl sulfide; S-Methylmercaptoethanol; β-Methylmercaptoethanol; 2-Methylmercaptoethanol; β-(Methylthio)ethanol; 2-(Methylthio)ethanol; 1-Hydroxy-2-(methylthio)-ethane; 2-MethyIthioethanol; NSC 1902
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | VF-5 MS | VF-5 MS | DB-1 |
| Column length (m) | 60. | 60. | 60. |
| Carrier gas | Helium | Helium | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 30. | 30. | 30. |
| Tend (C) | 260. | 260. | 200. |
| Heat rate (K/min) | 2. | 2. | 4. |
| Initial hold (min) | 25. | ||
| Final hold (min) | 28. | 28. | 20. |
| I | 844. | 850. | 813. |
| Reference | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Hansen, Buttery, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C.,
Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles,
J. Agric. Food Chem., 1992, 40, 5, 850-852, https://doi.org/10.1021/jf00017a029
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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