CAS 731772-83-1

Ethyl 2-(3-methyl-3-buten-1-yl)benzoate

Description:

Ethyl 2-(3-methyl-3-buten-1-yl)benzoate, identified by its CAS number 731772-83-1, is an organic compound that belongs to the class of esters. It features a benzoate moiety, which is derived from benzoic acid, and an ethyl group, indicating that it is an ethyl ester. The compound has a branched alkyl chain, specifically a 3-methyl-3-buten-1-yl group, which contributes to its unique structural characteristics and potential reactivity. Ethyl 2-(3-methyl-3-buten-1-yl)benzoate is typically a colorless to pale yellow liquid with a pleasant aroma, making it of interest in the fragrance and flavor industries. Its molecular structure suggests it may exhibit moderate volatility and solubility in organic solvents, while being less soluble in water. The compound may also participate in various chemical reactions, such as hydrolysis or transesterification, under appropriate conditions. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₁₄H₁₈O₂

InChI: InChI=1S/C14H18O2/c1-4-16-14(15)13-8-6-5-7-12(13)10-9-11(2)3/h5-8H,2,4,9-10H2,1,3H3

InChI key: InChIKey=JZLZWHUNXHQKTH-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-(3-methyl-3-buten-1-yl)-, ethyl ester
• Benzoic acid, 2-(3-methyl-3-butenyl)-, ethyl ester
• Ethyl 2-(3-methyl-3-buten-1-yl)benzoate