CAS 57542-73-1

Benzoic acid, 4-acetyl-3-methyl-, methyl ester

Description:

Benzoic acid, 4-acetyl-3-methyl-, methyl ester, also known by its CAS number 57542-73-1, is an organic compound characterized by its ester functional group. It features a benzoic acid core with additional acetyl and methyl substituents, which contribute to its unique chemical properties. This compound typically appears as a colorless to pale yellow liquid with a pleasant aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic nature. The presence of the acetyl and methyl groups influences its reactivity, making it a potential candidate for various chemical reactions, including esterification and acylation. Additionally, it may exhibit biological activity, which can be of interest in pharmaceutical and agrochemical applications. As with many organic compounds, safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled. Overall, its structural features and functional groups make it a compound of interest in both synthetic and applied chemistry.

Formula: C₁₁H₁₂O₃

InChI: InChI=1S/C11H12O3/c1-7-6-9(11(13)14-3)4-5-10(7)8(2)12/h4-6H,1-3H3

InChI key: InChIKey=FBQAYGQDIITNCL-UHFFFAOYSA-N

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

Synonyms:

• Methyl 4-acetyl-3-methylbenzoate
• Benzoic acid, 4-acetyl-3-methyl-, methyl ester

Methyl 4-acetyl-3-methylbenzoate

CAS: 57542-73-1

Versatile small molecule scaffold

Formula: C₁₁H₁₂O₃

Purity: Min. 95%

Molecular weight: 192.21 g/mol

Ref: 3D-HCA54273