CAS 898757-48-7

Ethyl 2-ethoxy-η-oxobenzeneoctanoate

Description:

Ethyl 2-ethoxy-η-oxobenzeneoctanoate, identified by its CAS number 898757-48-7, is a chemical compound that belongs to the class of esters. This substance typically exhibits characteristics common to esters, such as being a colorless to pale yellow liquid with a pleasant, fruity odor. It is likely to be soluble in organic solvents while having limited solubility in water due to its hydrophobic octanoate chain. The presence of the ethoxy group suggests it may have moderate polarity, influencing its reactivity and interactions with other compounds. Ethyl 2-ethoxy-η-oxobenzeneoctanoate may be used in various applications, including as a flavoring agent, fragrance component, or in synthetic organic chemistry as an intermediate. Its stability and reactivity can be influenced by factors such as temperature and pH, making it important to handle it under appropriate conditions. As with many chemical substances, safety data sheets should be consulted for information on toxicity, handling, and environmental impact.

Formula: C₁₈H₂₆O₄

InChI: InChI=1S/C18H26O4/c1-3-21-17-13-10-9-11-15(17)16(19)12-7-5-6-8-14-18(20)22-4-2/h9-11,13H,3-8,12,14H2,1-2H3

InChI key: InChIKey=NNYDNDIHIRTHDT-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 2-ethoxy-η-oxobenzeneoctanoate
• Benzeneoctanoic acid, 2-ethoxy-η-oxo-, ethyl ester