CAS 951888-90-7

Ethyl η-oxo-4-propylbenzeneoctanoate

Description:

Ethyl η-oxo-4-propylbenzeneoctanoate, identified by its CAS number 951888-90-7, is an organic compound that belongs to the class of esters. This substance features a complex structure that includes a benzene ring substituted with a propyl group and an octanoate moiety. The presence of the η-oxo functional group indicates that it may exhibit unique reactivity and properties compared to simpler esters. Typically, compounds of this nature are characterized by their moderate volatility and potential solubility in organic solvents, making them useful in various applications, including as intermediates in organic synthesis or in the formulation of fragrances and flavorings. The ester functional group generally imparts pleasant aromatic characteristics, while the alkyl substituents can influence the compound's physical properties, such as boiling point and solubility. As with many organic compounds, safety data should be consulted to understand any potential hazards associated with handling and usage.

Formula: C₁₉H₂₈O₃

InChI: InChI=1S/C19H28O3/c1-3-9-16-12-14-17(15-13-16)18(20)10-7-5-6-8-11-19(21)22-4-2/h12-15H,3-11H2,1-2H3

InChI key: InChIKey=ANWJKUCXLVQJAI-UHFFFAOYSA-N

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

Synonyms:

• Benzeneoctanoic acid, η-oxo-4-propyl-, ethyl ester
• Ethyl η-oxo-4-propylbenzeneoctanoate