CAS 731772-84-2

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

Description:

Ethyl 3-(3-buten-1-yl)benzoate is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and ethanol. This compound features a benzoate moiety attached to a 3-(3-buten-1-yl) substituent, indicating the presence of a butenyl group that contributes to its reactivity and potential applications in organic synthesis. Ethyl 3-(3-buten-1-yl)benzoate is typically a colorless to pale yellow liquid with a pleasant aromatic odor, making it suitable for use in fragrances and flavoring agents. Its molecular structure allows for various chemical reactions, including polymerization and substitution reactions, which can be exploited in the synthesis of more complex molecules. Additionally, the compound may exhibit properties such as solubility in organic solvents and moderate stability under standard conditions. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled.

Formula: C₁₃H₁₆O₂

InChI: InChI=1/C13H16O2/c1-3-5-7-11-8-6-9-12(10-11)13(14)15-4-2/h3,6,8-10H,1,4-5,7H2,2H3

InChI key: InChIKey=KIQZPSZAZDMFDY-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3-(3-buten-1-yl)-, ethyl ester
• Benzoic acid, 3-(3-butenyl)-, ethyl ester
• Ethyl 3-(3-buten-1-yl)benzoate
• ethyl 3-(but-3-enyl)benzoate
• 4-(3-CARBOETHOXYPHENYL)-1-BUTENE