4-Mercapto-4-methyl-pentan-2-one

CAS: 19872-52-7

Ref. 3D-FM35715

Product Information

• Name: 4-Mercapto-4-methyl-pentan-2-one
• Brand: Biosynth
• Description: 4-Mercapto-4-methyl-pentan-2-one is a fatty acid that is used as a flavor and fragrance agent. It has shown potential as a biomarker for exposure to volatile organic compounds (VOCs). 4-Mercapto-4-methylpentan2one has been found to inhibit the transcriptional regulation of genes encoding thiols and is an important component of the matrix effect. This compound can be extracted by solid phase microextraction, which will require sample preparation before use. The wild type strain of Escherichia coli was used in this experiment, but it may also be possible to use other bacteria such as Bacillus subtilis or Pseudomonas aeruginosa. Chemical ionization mass spectrometry was used to identify 4-mercapto-4-methylpentan2one in the extract.

Chemical properties

• Molecular weight: 132.22 g/mol
• Formula: C₆H₁₂SO
• Purity: Min. 98 Area-%
• InChI: InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
• InChI key: InChIKey=QRNZMFDCKKEPSX-UHFFFAOYSA-N
• SMILES: CC(=O)CC(C)(C)S