CAS 135901-82-5

Benzoic acid, 3-acetyl-4-propoxy-, methyl ester

Description:

Benzoic acid, 3-acetyl-4-propoxy-, methyl ester, identified by the CAS number 135901-82-5, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a propoxy group and an acetyl group attached to the benzene ring, contributing to its unique chemical properties. It is typically a colorless to pale yellow liquid with a pleasant odor, indicating its potential use in fragrances or flavoring agents. The presence of the ester group suggests that it may exhibit moderate solubility in organic solvents while being less soluble in water. Its structure allows for potential applications in the synthesis of other organic compounds, as well as in the pharmaceutical and agrochemical industries. Additionally, the compound may exhibit biological activity, making it of interest for further research in medicinal chemistry. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.

Formula: C₁₃H₁₆O₄

InChI: InChI=1S/C13H16O4/c1-4-7-17-12-6-5-10(13(15)16-3)8-11(12)9(2)14/h5-6,8H,4,7H2,1-3H3

InChI key: InChIKey=ZHWXQBLTXQSITN-UHFFFAOYSA-N

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

Synonyms:

• 3-Acetyl-4-propoxy-benzoic acid methyl ester
• Methyl 3-acetyl-4-propoxybenzoate
• Benzoic acid, 3-acetyl-4-propoxy-, methyl ester