CAS 898792-82-0

Ethyl 2,5-dimethyl-ε-oxobenzenehexanoate

Description:

Ethyl 2,5-dimethyl-ε-oxobenzenehexanoate, with the CAS number 898792-82-0, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol (ethyl alcohol) and a carboxylic acid. This compound features a benzene ring substituted with two methyl groups at the 2 and 5 positions, contributing to its aromatic properties and potentially influencing its reactivity and solubility. The presence of the hexanoate chain indicates a longer aliphatic carbon chain, which can enhance its hydrophobic characteristics. Ethyl 2,5-dimethyl-ε-oxobenzenehexanoate may exhibit interesting properties such as moderate volatility and potential applications in the synthesis of other organic compounds, flavoring agents, or fragrances. Its molecular structure suggests it could participate in various chemical reactions, including esterification and hydrolysis. However, specific physical properties such as boiling point, melting point, and solubility would require empirical data for precise characterization. Safety data should also be consulted to understand its handling and potential hazards.

Formula: C₁₆H₂₂O₃

InChI: InChI=1S/C16H22O3/c1-4-19-16(18)8-6-5-7-15(17)14-11-12(2)9-10-13(14)3/h9-11H,4-8H2,1-3H3

InChI key: InChIKey=SYRSVRIKVLLBBX-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 2,5-dimethyl-ε-oxobenzenehexanoate
• Benzenehexanoic acid, 2,5-dimethyl-ε-oxo-, ethyl ester