CAS 898757-67-0

Ethyl η-oxo-4-propoxybenzeneoctanoate

Description:

Ethyl η-oxo-4-propoxybenzeneoctanoate, identified by its CAS number 898757-67-0, is an organic compound characterized by its ester functional group, which is formed from the reaction of an alcohol and a carboxylic acid. This compound features a propoxy group attached to a benzene ring, contributing to its aromatic characteristics, while the octanoate portion indicates a long-chain fatty acid component, which can influence its solubility and hydrophobic properties. The presence of the η-oxo group suggests a ketone functionality, which can affect the compound's reactivity and stability. Ethyl esters typically exhibit moderate volatility and can be used in various applications, including as flavoring agents, fragrances, or intermediates in organic synthesis. The structural complexity of this compound may also impart unique biological activities, making it of interest in fields such as medicinal chemistry or materials science. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₉H₂₈O₄

InChI: InChI=1S/C19H28O4/c1-3-15-23-17-13-11-16(12-14-17)18(20)9-7-5-6-8-10-19(21)22-4-2/h11-14H,3-10,15H2,1-2H3

InChI key: InChIKey=WMQXIFLBIJULEQ-UHFFFAOYSA-N

SMILES: C(CCCCCCC(OCC)=O)(=O)C1=CC=C(OCCC)C=C1

Synonyms:

• Ethyl η-oxo-4-propoxybenzeneoctanoate
• Benzeneoctanoic acid, η-oxo-4-propoxy-, ethyl ester