CAS 951888-80-5

Ethyl α-oxo-4-pentylbenzeneacetate

Description:

Ethyl α-oxo-4-pentylbenzeneacetate, identified by its CAS number 951888-80-5, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a phenyl ring substituted with a pentyl group and an α-oxo group, indicating the presence of a carbonyl (C=O) adjacent to the ester functionality. The structure suggests that it may exhibit moderate to high lipophilicity due to the long pentyl chain, which can influence its solubility in organic solvents. Ethyl α-oxo-4-pentylbenzeneacetate may have applications in organic synthesis, potentially serving as an intermediate in the production of pharmaceuticals or fragrances. Its reactivity is likely influenced by the carbonyl group, making it susceptible to nucleophilic attacks. Additionally, the presence of the aromatic ring may impart unique electronic properties, affecting its behavior in chemical reactions. As with many organic compounds, safety data should be consulted for handling and storage guidelines.

Formula: C₁₅H₂₀O₃

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

InChI key: InChIKey=UXSWBZRBQYLKPQ-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, α-oxo-4-pentyl-, ethyl ester
• Ethyl α-oxo-4-pentylbenzeneacetate