CAS 122483-74-3

Methyl 4-mercaptobenzenepropanoate

Description:

Methyl 4-mercaptobenzenepropanoate, with the CAS number 122483-74-3, is an organic compound characterized by its ester functional group and a thiol (mercapto) group. This compound features a methyl ester derived from 4-mercaptobenzenpropanoic acid, which contributes to its unique properties. It typically appears as a colorless to pale yellow liquid with a distinctive odor, indicative of the presence of the thiol group. The compound is soluble in organic solvents but may have limited solubility in water due to its hydrophobic characteristics. Methyl 4-mercaptobenzenepropanoate is of interest in various chemical applications, including as a potential intermediate in organic synthesis and in the development of fragrances and flavoring agents. Its reactivity is influenced by both the ester and thiol functionalities, allowing for participation in nucleophilic substitution reactions and other chemical transformations. Safety precautions should be observed when handling this compound, as thiols can be malodorous and may pose health risks upon exposure.

Formula: C₁₀H₁₂O₂S

InChI: InChI=1S/C10H12O2S/c1-12-10(11)7-4-8-2-5-9(13)6-3-8/h2-3,5-6,13H,4,7H2,1H3

InChI key: InChIKey=BXMQSECLXFZSSW-UHFFFAOYSA-N

SMILES: C(CC(OC)=O)C1=CC=C(S)C=C1

Synonyms:

• Methyl 4-mercaptobenzenepropanoate
• Methyl 3-(4-mercaptophenyl)propionate
• Benzenepropanoic acid, 4-mercapto-, methyl ester
• 4-Mercaptobenzenepropanoic acid methyl ester