CAS 898751-14-9

Ethyl 4-methoxy-3,5-dimethyl-η-oxobenzeneoctanoate

Description:

Ethyl 4-methoxy-3,5-dimethyl-η-oxobenzeneoctanoate, identified by its CAS number 898751-14-9, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group and a substituted aromatic ring. The presence of methoxy and dimethyl groups on the benzene ring contributes to its unique chemical properties, influencing its reactivity and solubility. This compound is likely to exhibit moderate polarity due to the ester and methoxy groups, making it soluble in organic solvents while having limited solubility in water. Its structure suggests potential applications in fields such as pharmaceuticals, agrochemicals, or as a flavoring agent, depending on its biological activity and stability. Additionally, the presence of the octanoate chain may impart fatty acid-like characteristics, which could affect its behavior in biological systems. Overall, the specific characteristics of this compound, including its melting point, boiling point, and spectral properties, would need to be determined through experimental methods for precise applications and safety assessments.

Formula: C₁₉H₂₈O₄

InChI: InChI=1/C19H28O4/c1-5-23-18(21)11-9-7-6-8-10-17(20)16-12-14(2)19(22-4)15(3)13-16/h12-13H,5-11H2,1-4H3

InChI key: InChIKey=UJOSYQOVJSWRAZ-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-methoxy-3,5-dimethyl-η-oxobenzeneoctanoate
• Benzeneoctanoic acid, 4-methoxy-3,5-dimethyl-η-oxo-, ethyl ester