cMethyl 4-(methylthio)butyrate

CAS: 53053-51-3

Ref. 3D-FM35567

Product Information

• Name: cMethyl 4-(methylthio)butyrate
• Synonyms: 4-(Methylthio)butyric acid methyl ester, Butanoic acid, 4-(methylthio)-, methyl ester, Methyl 4-(Methylsulfanyl)Butanoate, Methyl 4-(methylthio)butanoate

Description

cMethyl 4-(methylthio)butyrate is a sulfur compound that is isolated from the headspace of wine. It has been analyzed by gas chromatography/mass spectrometry, and found to contain dimethyl trisulfide, which is also present in garlic. cMethyl 4-(methylthio)butyrate has been found to be a high-resolution sulfur compound because it can be detected at very low levels. It has also been shown to be present in the breath of patients with chronic obstructive pulmonary disease (COPD). The presence of this compound in the breath may serve as a marker for COPD.

• Brand: Biosynth

Chemical properties

• Molecular weight: 148.22 g/mol
• Formula: C₆H₁₂O₂S
• Purity: Min. 95%
• InChI: InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
• InChI key: InChIKey=HQDLZISNHUMXEA-UHFFFAOYSA-N
• SMILES: COC(=O)CCCSC