CAS 898791-61-2

2-Ethoxy-ε-oxobenzenehexanoic acid

Description:

2-Ethoxy-ε-oxobenzenehexanoic acid, identified by its CAS number 898791-61-2, is a chemical compound that features a unique structure combining an ethoxy group, a benzene ring, and a hexanoic acid moiety. This compound is characterized by its potential applications in various fields, including pharmaceuticals and organic synthesis. The presence of the ethoxy group enhances its solubility in organic solvents, while the hexanoic acid portion contributes to its fatty acid characteristics, which may influence its biological activity. The compound's structure suggests it may exhibit specific reactivity patterns typical of carboxylic acids, such as acid-base reactions and esterification. Additionally, the benzene ring can participate in electrophilic aromatic substitution reactions. Overall, 2-Ethoxy-ε-oxobenzenehexanoic acid is of interest for its potential utility in developing new materials or therapeutic agents, although detailed studies on its biological properties and reactivity would be necessary to fully understand its applications.

Formula: C₁₄H₁₈O₄

InChI: InChI=1S/C14H18O4/c1-2-18-13-9-5-3-7-11(13)12(15)8-4-6-10-14(16)17/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,16,17)

InChI key: InChIKey=XPCSSLMUAIZEMT-UHFFFAOYSA-N

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

Synonyms:

• Benzenehexanoic acid, 2-ethoxy-ε-oxo-
• 2-Ethoxy-ε-oxobenzenehexanoic acid