CAS 117390-08-6

Methyl 4-[(1E)-3-hydroxy-1-propen-1-yl]benzoate

Description:

Methyl 4-[(1E)-3-hydroxy-1-propen-1-yl]benzoate, with the CAS number 117390-08-6, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and methanol. This compound features a methyl ester group attached to a benzene ring, which is further substituted with a propenyl group that contains a hydroxyl (-OH) functional group. The presence of the propenyl moiety indicates that it has unsaturation, contributing to its reactivity and potential for undergoing various chemical transformations. Methyl 4-[(1E)-3-hydroxy-1-propen-1-yl]benzoate is likely to exhibit moderate polarity due to the combination of the aromatic ring and the hydroxyl group, influencing its solubility in organic solvents and water. Additionally, this compound may possess biological activity, making it of interest in fields such as medicinal chemistry and natural product synthesis. Its structural features suggest potential applications in fragrance, flavoring, or as an intermediate in organic synthesis.

Formula: C₁₁H₁₂O₃

InChI: InChI=1S/C11H12O3/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12/h2-7,12H,8H2,1H3/b3-2+

InChI key: InChIKey=PSCVJQSMSDQKBF-NSCUHMNNSA-N

SMILES: C(OC)(=O)C1=CC=C(/C=C/CO)C=C1

Synonyms:

• Methyl 4-[(1E)-3-hydroxy-1-propen-1-yl]benzoate
• Benzoic acid, 4-(3-hydroxy-1-propenyl)-, methyl ester, (E)-
• Benzoic acid, 4-[(1E)-3-hydroxy-1-propenyl]-, methyl ester
• Benzoic acid, 4-[(1E)-3-hydroxy-1-propen-1-yl]-, methyl ester