4-Mercapto-4-methylpentan-2-one
- Formula: C6H12OS
- Molecular weight: 132.224
- IUPAC Standard InChI: InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
- IUPAC Standard InChIKey: QRNZMFDCKKEPSX-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
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Gas Chromatography
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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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 915. | Liu, Cao, et al., 2009 | Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1377. | Kisumoto, Kobayashi, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (15 min) 5 0C/min -> 160 0C (16 min) 10 0C/min -> 230 0C (7 min) |
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.
Liu, Cao, et al., 2009
Liu, F.; Cao, C.; Li, X.,
Quantitative structure-retention relationship study of mercapto-compounds by the method of dividing the molecular structure into substructure,
QSAR Comb. Sci., 2009, 28, 11-12, 1358-1366, https://doi.org/10.1002/qsar.200960043
. [all data]
Kisumoto, Kobayashi, et al., 2008
Kisumoto, T.; Kobayashi, M.; Yako, N.; Iida, A.; Wanikawa, A.,
Comparison of 4-mercapto-4-methylpentan-2-one contents in hop cultivars from different growing regions,
J. Agric. Food Chem., 2008, 56, 3, 1051-1057, https://doi.org/10.1021/jf072173e
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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