CAS 898792-17-1

Ethyl 2-(cyclohexylcarbonyl)benzoate

Description:

Ethyl 2-(cyclohexylcarbonyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and cyclohexanecarboxylic acid. This compound features a benzoate moiety, where the ethyl group is attached to the oxygen of the ester, and a cyclohexylcarbonyl group that contributes to its unique structure. It typically appears as a colorless to pale yellow liquid with a pleasant odor. The compound is likely to be soluble in organic solvents such as ethanol and ether, while being less soluble in water due to its hydrophobic cyclohexyl group. Ethyl 2-(cyclohexylcarbonyl)benzoate may exhibit interesting chemical properties, including potential applications in organic synthesis, fragrance formulations, or as an intermediate in the production of pharmaceuticals. Its stability and reactivity can be influenced by the presence of the cyclohexyl group, which may affect steric hindrance and electronic properties. Safety data should be consulted for handling and usage, as with any chemical substance.

Formula: C₁₆H₂₀O₃

InChI: InChI=1S/C16H20O3/c1-2-19-16(18)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3

InChI key: InChIKey=YSGGWYZJNCJPAH-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(C(OCC)=O)C=CC=C1)C2CCCCC2

Synonyms:

• Benzoic acid, 2-(cyclohexylcarbonyl)-, ethyl ester
• Ethyl 2-(cyclohexylcarbonyl)benzoate
• 2-Carboethoxyphenyl cyclohexyl ketone