Benzoic Acid

• CAS: 65-85-0
• Catalog Number: ACM65850-1
• Category: Inhibitors
• Molecular Weight: 122.12
• Molecular Formula: C7H6O2
• Description: Benzoic acid is a white (or colorless) solid with the formula C6H5CO2H. It is the simplest aromatic carboxylic acid. Salts of benzoic acid are used as food preservatives. Benzoic acid is an important precursor for the industrial synthesis of many other organic substances. The salts and esters of benzoic acid are known as benzoates.
• Synonyms: Benzenemethanoic acid
• IUPAC Name: Benzoic acid
• Canonical SMILES: C1=CC=C(C=C1)C(=O)O
• InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
• InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N
• Boiling Point: 249 °C (lit.)
• Melting Point: 121-125 °C (lit.)
• Density: 1.08 g/ml
• Appearance: White to yellow-beige to orange powder
• Active Content: 95%
• EC Number: 200-618-2
• LogP: 1.38480
• MDL Number: MFCD00002398
• pH: 3.66 (1 mM solution)
• Physical State: Solid
• pKa: 4.19
• PSA: 37.3
• Solubility In Water: 2.9 g/L