CAS 127356-56-3
:ethyl 3-(3-methylbut-3-enyl)benzoate
Description:
Ethyl 3-(3-methylbut-3-enyl)benzoate, with the CAS number 127356-56-3, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a benzoate moiety attached to a branched alkyl chain, specifically a 3-methylbut-3-enyl group, contributing to its unique structural properties. Ethyl 3-(3-methylbut-3-enyl)benzoate is typically a colorless to pale yellow liquid with a pleasant, fruity aroma, making it potentially useful in flavor and fragrance applications. Its molecular structure suggests moderate polarity, which influences its solubility in organic solvents while being less soluble in water. The compound may exhibit stability under standard conditions but could be sensitive to light and heat, leading to potential degradation. Additionally, it may participate in various chemical reactions typical of esters, such as hydrolysis and transesterification. Overall, this compound's characteristics make it of interest in both synthetic organic chemistry and industrial applications.
Formula:C14H18O2
InChI:InChI=1/C14H18O2/c1-4-16-14(15)13-7-5-6-12(10-13)9-8-11(2)3/h5-7,10H,2,4,8-9H2,1,3H3
SMILES:CCOC(=O)c1cccc(CCC(=C)C)c1
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