CAS 85169-05-7

Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl ester

Description:

Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl ester, known by its CAS number 85169-05-7, is an organic compound characterized by its ester functional group, which is derived from propanoic acid and an ethyl alcohol moiety. This compound features a propanoic acid backbone with a thioether substituent, specifically a 4-methylphenyl group, which contributes to its unique properties. It is typically a colorless to pale yellow liquid with a characteristic odor. The presence of the thioether group can influence its reactivity and solubility, making it more hydrophobic compared to other esters. This compound may exhibit moderate volatility and is likely to be soluble in organic solvents while having limited solubility in water. Its applications may span various fields, including pharmaceuticals, agrochemicals, and as a flavoring agent, depending on its specific properties and reactivity. Safety data should be consulted for handling and exposure guidelines, as with all chemical substances.

Formula: C₁₂H₁₆O₂S

InChI: InChI=1S/C12H16O2S/c1-3-14-12(13)8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3

InChI key: InChIKey=JHQSBVMORQJICP-UHFFFAOYSA-N

SMILES: S(CCC(OCC)=O)C1=CC=C(C)C=C1

Synonyms:

• 3-[(4-Methylphenyl)sulfanyl]propanoic acid ethyl ester
• Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl ester
• Ethyl 3-[(4-methylphenyl)thio]propanoate