CAS 122115-58-6

ethyl 7-(3-methoxyphenyl)-7-oxo-heptanoate

Description:

Ethyl 7-(3-methoxyphenyl)-7-oxo-heptanoate, identified by its CAS number 122115-58-6, is an organic compound characterized by its ester functional group, which is typical of ethyl esters. This compound features a heptanoate backbone, indicating it has a seven-carbon chain, with a ketone group at the seventh position and a 3-methoxyphenyl substituent at the same carbon. The presence of the methoxy group (-OCH3) on the aromatic ring enhances its lipophilicity and may influence its reactivity and solubility in organic solvents. The compound is likely to exhibit moderate to high boiling and melting points due to its molecular weight and structure. Ethyl esters are generally known for their pleasant odors and are often used in flavoring and fragrance applications. Additionally, the presence of both aromatic and aliphatic components suggests potential biological activity, making it of interest in medicinal chemistry and drug development. However, specific properties such as solubility, stability, and reactivity would require empirical data for precise characterization.

Formula: C₁₆H₂₂O₄

InChI: InChI=1/C16H22O4/c1-3-20-16(18)11-6-4-5-10-15(17)13-8-7-9-14(12-13)19-2/h7-9,12H,3-6,10-11H2,1-2H3

InChI key: InChIKey=BZSGUOMZKSFDJP-UHFFFAOYSA-N

SMILES: C(CCCCCC(OCC)=O)(=O)C1=CC(OC)=CC=C1

Synonyms:

• Ethyl 3-methoxy-ζ-oxobenzeneheptanoate
• Benzeneheptanoic acid, 3-methoxy-ζ-oxo-, ethyl ester