CAS 127931-21-9

2-Methylpropyl 3-(methylthio)butanoate

Description:

2-Methylpropyl 3-(methylthio)butanoate, with the CAS number 127931-21-9, is an organic compound that belongs to the class of esters. It is characterized by its ester functional group, which is formed from the reaction of an alcohol and a carboxylic acid. This compound features a branched alkyl chain, specifically a 2-methylpropyl group, which contributes to its hydrophobic nature. The presence of the methylthio group indicates that it contains a sulfur atom bonded to a methyl group, which can impart unique odor and flavor characteristics, often associated with compounds found in certain natural products. The molecular structure suggests that it may exhibit moderate volatility and solubility in organic solvents, while being less soluble in water due to its hydrophobic components. Additionally, esters like this one are often used in the fragrance and flavor industry, as well as in various chemical syntheses. Safety data should be consulted for handling and potential hazards associated with this compound.

Formula: C₉H₁₈O₂S

InChI: InChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3

InChI key: InChIKey=RRGSLXQIRFOAEM-UHFFFAOYSA-N

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

Synonyms:

• 2-Methylpropyl 3-methylsulfanylbutanoate
• 2-Methylpropyl 3-(methylthio)butanoate
• Butanoic acid, 3-(methylthio)-, 2-methylpropyl ester