CAS 898757-87-4

Ethyl 4-(hexyloxy)-γ-oxobenzenebutanoate

Description:

Ethyl 4-(hexyloxy)-γ-oxobenzenebutanoate, identified by its CAS number 898757-87-4, is an organic compound characterized by its ester functional group and a complex aromatic structure. This substance features a hexyloxy group, which contributes to its hydrophobic properties, enhancing its solubility in organic solvents. The presence of the γ-oxobenzenebutanoate moiety indicates that it has a ketone functional group adjacent to a benzene ring, which can influence its reactivity and potential applications in organic synthesis. Ethyl esters like this compound are often used in the synthesis of pharmaceuticals, agrochemicals, and as intermediates in various chemical reactions. The molecular structure suggests that it may exhibit interesting biological activities, although specific biological properties would require further investigation. Additionally, the compound's stability, boiling point, and melting point would depend on its molecular interactions and the presence of functional groups, which can affect its behavior in different environments. Overall, this compound represents a unique structure with potential utility in various chemical applications.

Formula: C₁₈H₂₆O₄

InChI: InChI=1/C18H26O4/c1-3-5-6-7-14-22-16-10-8-15(9-11-16)17(19)12-13-18(20)21-4-2/h8-11H,3-7,12-14H2,1-2H3

InChI key: InChIKey=MFNFDDBUNDAQDC-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=CC=C(OCCCCCC)C=C1

Synonyms:

• Ethyl 4-(hexyloxy)-γ-oxobenzenebutanoate
• Benzenebutanoic acid, 4-(hexyloxy)-γ-oxo-, ethyl ester