177458

4-Acetylbenzoic acid

98%

• Synonym(s): Acetophenone-4-carboxylic acid
• Linear Formula: CH₃COC₆H₄CO₂H
• CAS Number: 586-89-0
• Molecular Weight: 164.16
• Beilstein/REAXYS Number: 2207355
• EC Number: 209-588-5
• MDL number: MFCD00002561
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850637
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• mp: 208-210 °C (lit.)
• functional group: carboxylic acid; ketone
• SMILES string: CC(=O)c1ccc(cc1)C(O)=O
• InChI: 1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
• InChI key: QBHDSQZASIBAAI-UHFFFAOYSA-N

Description

Application

4-Acetylbenzoic acid was used in the preparation of an ester-derivative of paclitaxel.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)