CAS 111393-29-4

methyl 3-(3-oxopropyl)benzoate

Description:

Methyl 3-(3-oxopropyl)benzoate, identified by its CAS number 111393-29-4, is an organic compound that belongs to the class of benzoate esters. It features a benzoate moiety, which is a benzene ring substituted with a methyl ester group, and a propyl chain that includes a ketone functional group. This compound is typically characterized by its moderate polarity due to the presence of both the ester and ketone functionalities, which can influence its solubility in various organic solvents. Methyl 3-(3-oxopropyl)benzoate may exhibit a range of chemical reactivity, including nucleophilic attacks at the carbonyl carbon of the ketone, making it a potential intermediate in organic synthesis. Additionally, its structure suggests potential applications in the fragrance and flavor industry, as well as in the synthesis of more complex organic molecules. The compound's physical properties, such as boiling point and melting point, would depend on its molecular weight and intermolecular interactions. Safety data should be consulted for handling and usage guidelines.

Formula: C₁₁H₁₂O₃

InChI: InChI=1/C11H12O3/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2,4,6-8H,3,5H2,1H3

SMILES: COC(=O)c1cccc(CCC=O)c1

Synonyms:

• Methyl-3-(3-oxopropyl)benzoat