CAS 898793-06-1

Ethyl 3,4-dimethyl-δ-oxobenzenepentanoate

Description:

Ethyl 3,4-dimethyl-δ-oxobenzenepentanoate, identified by its CAS number 898793-06-1, is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a benzene ring substituted with two methyl groups at the 3 and 4 positions, contributing to its aromatic properties and potentially influencing its reactivity and solubility. The presence of the δ-oxobenzene moiety indicates that it contains a ketone functional group adjacent to the aromatic system, which can enhance its electrophilic character. Ethyl esters typically exhibit moderate volatility and are often used in organic synthesis and as intermediates in the production of various chemicals. The specific structural features of this compound may impart unique physical and chemical properties, such as solubility in organic solvents and potential applications in pharmaceuticals or agrochemicals. However, detailed information on its toxicity, stability, and specific applications would require further investigation or empirical data.

Formula: C₁₅H₂₀O₃

InChI: InChI=1S/C15H20O3/c1-4-18-15(17)7-5-6-14(16)13-9-8-11(2)12(3)10-13/h8-10H,4-7H2,1-3H3

InChI key: InChIKey=BYCPKHWWZURPMX-UHFFFAOYSA-N

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

Synonyms:

• Benzenepentanoic acid, 3,4-dimethyl-δ-oxo-, ethyl ester
• Ethyl 3,4-dimethyl-δ-oxobenzenepentanoate