3-Mercapto-2-butylpropanal

Formula: C₇H₁₄OS
Molecular weight: 146.250
IUPAC Standard InChI: InChI=1S/C7H14OS/c1-2-3-4-7(5-8)6-9/h5,7,9H,2-4,6H2,1H3
IUPAC Standard InChIKey: QEYQYTNODDKTJC-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:
- 3-Mercapto-2-butylpropanal
- 3-Sulfanyl-2-butylpropanal
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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	1161.	Kleinhenz, Kuo, et al., 2006	Program: not specified
Capillary	CP Sil 5 CB	1133.	Vermeulen and Collin, 2002	50. m/0.32 mm/1.2 μm, He; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min)

References

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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 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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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