CAS 898757-97-6

Ethyl 4-(heptyloxy)-δ-oxobenzenepentanoate

Description:

Ethyl 4-(heptyloxy)-δ-oxobenzenepentanoate, identified by its CAS number 898757-97-6, is an organic compound characterized by its ester functional group, which is typical of many organic compounds used in various applications. This substance features a heptyloxy group, indicating the presence of a seven-carbon alkyl chain, which contributes to its hydrophobic characteristics and may influence its solubility in organic solvents. The δ-oxobenzene moiety suggests the presence of a ketone functional group adjacent to a benzene ring, which can impart unique reactivity and stability to the compound. Ethyl esters like this one are often utilized in the synthesis of pharmaceuticals, agrochemicals, and fragrances due to their favorable properties. The molecular structure indicates potential applications in materials science and organic synthesis, where the combination of hydrophobic and aromatic characteristics can be advantageous. Overall, this compound exemplifies the complexity and versatility of organic molecules in chemical research and industrial applications.

Formula: C₂₀H₃₀O₄

InChI: InChI=1S/C20H30O4/c1-3-5-6-7-8-16-24-18-14-12-17(13-15-18)19(21)10-9-11-20(22)23-4-2/h12-15H,3-11,16H2,1-2H3

InChI key: InChIKey=AEQIYJVQTOYNDT-UHFFFAOYSA-N

SMILES: C(CCCC(OCC)=O)(=O)C1=CC=C(OCCCCCCC)C=C1

Synonyms:

• Ethyl 4-(heptyloxy)-δ-oxobenzenepentanoate
• Benzenepentanoic acid, 4-(heptyloxy)-δ-oxo-, ethyl ester