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, custom temperature program
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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 | Polydimethyl siloxane | CP Sil 5 CB | DB-5 | DB-5 |
| Column length (m) | 50. | 30. | 30. | |
| Carrier gas | Helium | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | |
| Phase thickness (μm) | 1.2 | 0.25 | 0.25 | |
| Program | 40 0C 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C | 40 0C (4 min) 2 0C/min -> 132 0C 10 0C/min -> 250 0C (15 min) | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) | 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C |
| I | 818. | 768. | 811. | 816. |
| Reference | Xu, He, et al., 2010 | Vermeulen and Collin, 2006 | Lin, Fay, et al., 2000 | Matsui, Guth, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Xu, He, et al., 2010
Xu, H.; He, W.; Liu, X.; Gao, Y.,
Effect of pressure on the Maillard reaction between ribose and cysteine in supercritical carbon dioxide,
Czech J. Food Sci., 2010, 28, 3, 192-201. [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]
Lin, Fay, et al., 2000
Lin, J.; Fay, L.B.; Blank, I.,
Aroma impact compounds formed in meat-like model systems containing cysteine, ribose, and phospholipids
in Frontiers of Flavour Science, Scheberle, P.; Engel, K.-H., ed(s)., Deutsche Forschungsanstalt fur Lebensmittelchemie, Garching, 2000, 498-502. [all data]
Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W.,
A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH),
Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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