3-mercapto-2-butanone
- Formula: C4H8OS
- Molecular weight: 104.171
- IUPAC Standard InChI: InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3
- IUPAC Standard InChIKey: XLMPYCGSRHSSSX-UHFFFAOYSA-N
- CAS Registry Number: 40789-98-8
- 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: 2-Butanone, 3-mercapto-; 3-mercaptobutan-2-one
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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 | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 60. | 60. | 60. |
| Carrier gas | Helium | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 1.0 | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 60. | 60. |
| Tend (C) | 220. | 280. | 220. | 220. |
| Heat rate (K/min) | 4. | 2. | 3. | 3. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 798. | 789. | 787. | 787. |
| Reference | Shedid, 2010 | Tai and Ho, 1998 | Güntert, Bertram, et al., 1992 | Guntert, Brüning, et al., 1990 |
| Comment | MSDC-RI | 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.
Shedid, 2010
Shedid, S.,
Chemical composition and antioxidant activity of Mallard reaction products generated from glutathione or Cysteine/glucose,
World Appl. Sci. J., 2010, 9, 10, 1148-1154. [all data]
Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T.,
Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds,
J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t
. [all data]
Güntert, Bertram, et al., 1992
Güntert, M.; Bertram, H.-J.; Hopp, R.; Silberzahn, W.; Sommer, H.; Werkhoff, P.,
Thermal generation of flavor compounds from thiamin and various amino acids
in Recent developments in flavor and fragrance chemistry. Proceedings of the 3rd International Haarmann Reimer Symposium, Hopp,R.; Mori,K., ed(s)., VCH Publishers, New York, 1992, 215-240. [all data]
Guntert, Brüning, et al., 1990
Guntert, M.; Brüning, J.; Emberger, R.; Köpsel, Ml; Kuhn, W.; Thielmann, T.; Werkhoff, P.,
Identification and formation of some selected sulfur-containing flavor compounds in various meat model systems,
J. Agric. Food Chem., 1990, 38, 11, 2027-2041, https://doi.org/10.1021/jf00101a007
. [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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