4-mercapto-3-methylpentan-2-one

Formula: C₆H₁₂OS
Molecular weight: 132.224
IUPAC Standard InChI: InChI=1S/C6H12OS/c1-4(5(2)7)6(3)8/h4,6,8H,1-3H3
IUPAC Standard InChIKey: VPFDUTYZTDYOAS-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Species with the same structure:
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Gas Chromatography

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	5 % Phenyl methyl siloxane	1002.	Kleinhenz, Kuo, et al., 2006	Program: not specified
Capillary	5 % Phenyl methyl siloxane	994.	Kleinhenz, Kuo, et al., 2006	Program: not specified
Capillary	CP Sil 5 CB	959.	Vermeulen, Guyot-Declerck, et al., 2003	50. m/0.32 mm/1.2 μm, He; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min)
Capillary	CP Sil 5 CB	967.	Vermeulen, Guyot-Declerck, et al., 2003	50. m/0.32 mm/1.2 μm, He; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min)
Capillary	CP Sil 5 CB	959.	Vermeulen and Collin, 2002	50. m/0.32 mm/1.2 μm, He; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min)
Capillary	CP Sil 5 CB	967.	Vermeulen and Collin, 2002	50. m/0.32 mm/1.2 μm, He; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min)
Capillary	CP Sil 5 CB	959.	Vermeulen, Pellaud, et al., 2001	50. m/0.32 mm/1.2 μm, He; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250(45min)
Capillary	CP Sil 5 CB	967.	Vermeulen, Pellaud, et al., 2001	50. m/0.32 mm/1.2 μm, He; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250(45min)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	FFAP	1469.	Vermeulen, Guyot-Declerck, et al., 2003	25. m/0.32 mm/0.3 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(15min)
Capillary	FFAP	1477.	Vermeulen, Guyot-Declerck, et al., 2003	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

Kleinhenz, Kuo, et al., 2006
Kleinhenz, J.K.; Kuo, C.J.; Harper., W.J., Evaluation of polyfunctional thiol compounds in aged Cheddar cheese: identification, Milchwissenschaft, 2006, 61, 3, 300-304. [all data]

Vermeulen, Guyot-Declerck, et al., 2003
Vermeulen, C.; Guyot-Declerck, C.; Collin, S., Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues, J. Agric. Food Chem., 2003, 51, 12, 3623-3628, https://doi.org/10.1021/jf0212340 . [all data]

Vermeulen and Collin, 2002
Vermeulen, C.; Collin, S., Synthesis and sensorial properties of mercaptoaldehydes, J. Agric. Food Chem., 2002, 50, 20, 5654-5659, https://doi.org/10.1021/jf020468g . [all data]

Vermeulen, Pellaud, et al., 2001
Vermeulen, C.; Pellaud, J.; Gijs, L.; Collin, S., Combinatorial synthesis and sensorial properties of polyfunctional thiols, J. Agric. Food Chem., 2001, 49, 11, 5445-5449, https://doi.org/10.1021/jf010816z . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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