242381

Benzoic acid

ACS reagent, ≥99.5%

• Synonym(s): Benzenecarboxylic acid, Carboxybenzene
• Linear Formula: C₆H₅COOH
• CAS Number: 65-85-0
• Molecular Weight: 122.12
• Beilstein: 636131
• EC Number: 200-618-2
• MDL number: MFCD00002398
• UNSPSC Code: 12352100
• eCl@ss: 39023903
• PubChem Substance ID: 24854555
• NACRES: NA.21

Properties

• grade: ACS reagent
• Quality Level: 200
• vapor density: 4.21 (vs air)
• vapor pressure: 10 mmHg ( 132 °C)
• Assay: ≥99.5%
• form: crystalline
• autoignition temp.: 1061 °F
• packaging: poly bottle of 25, 100, 500 g; poly drum of 3 kg
• impurities: MnO₄^- reducers, passes test; ≤0.002% S compounds; ≤0.005% CH₃OH insol.
• ign. residue: ≤0.005%
• bp: 249 °C (lit.)
• mp: 121-125 °C (lit.)
• solubility: water: soluble (2.9 g/l at 25 °C)
• anion traces: chloride (Cl^-): ≤0.005%
• cation traces: heavy metals (as Pb): ≤5 ppm
• functional group: carboxylic acid; phenyl
• SMILES string: OC(=O)c1ccccc1
• InChI: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
• InChI key: WPYMKLBDIGXBTP-UHFFFAOYSA-N

Description

General description

Benzoic acid is an organic aromatic monocarboxylic acid. It can be synthesized by the cobalt or manganese catalyzed atmospheric oxidation of toluene. Recently, benzoic acid has been prepared from toluene by employing TiO₂ nanotubes electrode.
Benzoic acid reacts with hydrogenating reagents to afford hexahydrobenzoic acid. The thermal decomposition of the product in the presence of lime or alkali produces benzene and carbon dioxide.

Application

Benzoic acid has been used in the preparation of vials for the HPLC analysis of various polyamines in biological fluids, tissues and isolated/cultured cells.
It may be employed as an intermediate in the synthesis of the following:

• paints
• pigments
• varnish
• wetting agents
• aroma compounds
• benzoyl chloride
• benzotrichloride

It may also be used to investigate the mechanism of complex addition reaction of hydroxyl radicals with various aromatic compounds.

Safety Information

• Pictograms: GHS08,GHS05
• Signal Word: Danger
• Hazard Statements: H315,H318,H372
• Precautionary Statements: P260 - P264 - P280 - P302 + P352 - P305 + P351 + P338 - P314
• Hazard Classifications: Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation
• Target Organs: Lungs
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable