CAS 898792-21-7

4-(Heptyloxy)-ε-oxobenzenehexanoic acid

Description:

4-(Heptyloxy)-ε-oxobenzenehexanoic acid, identified by its CAS number 898792-21-7, is an organic compound characterized by its unique molecular structure that includes a heptyloxy group and a hexanoic acid moiety. This compound features a benzene ring substituted with a heptyloxy group, which contributes to its hydrophobic properties, while the hexanoic acid part introduces a carboxylic acid functional group, imparting acidic characteristics. The presence of the heptyloxy chain enhances the compound's solubility in organic solvents and may influence its biological activity and interactions with other molecules. Additionally, the ε-oxo group indicates the presence of a carbonyl functional group adjacent to the benzene ring, which can participate in various chemical reactions, such as condensation or esterification. Overall, this compound's structure suggests potential applications in fields such as materials science, pharmaceuticals, or as a surfactant, depending on its specific properties and reactivity. Further studies would be necessary to fully elucidate its behavior in different environments and potential uses.

Formula: C₁₉H₂₈O₄

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

InChI key: InChIKey=BUPLZZJJCCCLNR-UHFFFAOYSA-N

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

Synonyms:

• Benzenehexanoic acid, 4-(heptyloxy)-ε-oxo-
• 4-(Heptyloxy)-ε-oxobenzenehexanoic acid