CAS 898757-95-4
:Ethyl 4-(hexyloxy)-η-oxobenzeneoctanoate
Description:
Ethyl 4-(hexyloxy)-η-oxobenzeneoctanoate, identified by its CAS number 898757-95-4, is an organic compound characterized by its ester functional group, which is formed from the reaction of an alcohol and a carboxylic acid. This compound features a benzene ring substituted with a hexyloxy group and an octanoate moiety, contributing to its hydrophobic properties. The presence of the hexyloxy group enhances its solubility in organic solvents, while the octanoate portion may impart certain biological or chemical activities. Ethyl esters like this one are often used in various applications, including as intermediates in organic synthesis, flavoring agents, or in the formulation of fragrances. The molecular structure suggests potential applications in materials science or pharmaceuticals, where the unique combination of hydrophobic and hydrophilic characteristics can be advantageous. However, specific properties such as boiling point, melting point, and reactivity would require empirical data for precise characterization. Safety data should also be consulted to understand handling and toxicity considerations.
Formula:C22H34O4
InChI:InChI=1S/C22H34O4/c1-3-5-6-11-18-26-20-16-14-19(15-17-20)21(23)12-9-7-8-10-13-22(24)25-4-2/h14-17H,3-13,18H2,1-2H3
InChI key:InChIKey=PBAIBQXPTJGEBT-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=CC=C(OCCCCCC)C=C1
Synonyms:- Benzeneoctanoic acid, 4-(hexyloxy)-η-oxo-, ethyl ester
- Ethyl 4-(hexyloxy)-η-oxobenzeneoctanoate
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