CAS 42075-45-6

S-Methyl 2-methylbutanethioate

Description:

S-Methyl 2-methylbutanethioate, with the CAS number 42075-45-6, is an organic compound classified as a thioester. It features a methyl group attached to a 2-methylbutanoic acid moiety, where the sulfur atom is part of the thioester functional group. This compound is typically characterized by its distinct odor, which is often described as fruity or sulfurous, making it of interest in flavor and fragrance applications. S-Methyl 2-methylbutanethioate is generally a colorless to pale yellow liquid at room temperature and is soluble in organic solvents. Its chemical structure allows for various reactivity patterns, including hydrolysis and transesterification, which are common in thioesters. Additionally, it may exhibit biological activity, contributing to its potential use in the synthesis of other organic compounds or in the study of metabolic pathways. Safety data should be consulted for handling and exposure guidelines, as thioesters can sometimes be irritants or toxic in certain concentrations.

Formula: C₆H₁₂OS

InChI: InChI=1/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3

InChI key: InChIKey=IAMIOPHEADLKFT-UHFFFAOYSA-N

SMILES: C(C(SC)=O)(CC)C

Synonyms:

• 2-Methyl-1-(methylsulfanyl)butan-1-one
• 255-648-9
• Butanethioic acid, 2-methyl-, S-methyl ester
• Methyl 2-methylthiobutyrate
• S-Methyl 2-methylbutanethioate
• S-Methyl 2-methylbutanethioate
• S-tropical 2-thiobutyrate
• 2-METHYL-BUTANETHIOIC ACI S-METHYL ESTER
• 2-Methylbutanethioic acid S-methyl ester
• FEMA 3708
• S-METHYL 2-METHYLTHIOBUTYRATE
• METHYLTHIO 2-METHYLBUTYRATE
• S-Methyl 2-methylthiobutyrate USP/EP/BP