CAS 731772-88-6

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

Description:

Ethyl 3-(2-methyl-2-propen-1-yl)benzoate, with the CAS number 731772-88-6, is an organic compound characterized by its ester functional group. It features a benzoate moiety, where a benzene ring is substituted at the 3-position with an ethyl ester group and a 2-methyl-2-propen-1-yl group, which is a branched alkene. This structure contributes to its unique chemical properties, including moderate polarity due to the ester linkage, which can influence its solubility in various solvents. The presence of the alkene group may also impart reactivity, particularly in addition reactions. Ethyl 3-(2-methyl-2-propen-1-yl)benzoate may exhibit aromatic characteristics, making it potentially useful in organic synthesis and as a flavoring or fragrance agent. Its stability under standard conditions, along with its potential applications in chemical synthesis, highlights its significance in organic chemistry. Safety data should be consulted for handling and usage, as with any chemical substance.

Formula: C₁₃H₁₆O₂

InChI: InChI=1S/C13H16O2/c1-4-15-13(14)12-7-5-6-11(9-12)8-10(2)3/h5-7,9H,2,4,8H2,1,3H3

InChI key: InChIKey=WRSPUSPYGVMZKG-UHFFFAOYSA-N

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

Synonyms:

• 3-(2-Methyl-allyl)-benzoic acid ethyl ester
• Benzoic acid, 3-(2-methyl-2-propen-1-yl)-, ethyl ester
• Benzoic acid, 3-(2-methyl-2-propenyl)-, ethyl ester
• Ethyl 3-(2-methyl-2-propen-1-yl)benzoate