18102

Benzoic acid

meets analytical specification of Ph. Eur., BP, USP, FCC, E210, 99.5-100.5% (alkalimetric)

• Synonym(s): Benzenecarboxylic acid, Carboxybenzene
• Linear Formula: C₆H₅COOH
• CAS Number: 65-85-0
• Molecular Weight: 122.12
• Beilstein/REAXYS Number: 636131
• EC Number: 200-618-2
• MDL number: MFCD00002398
• UNSPSC Code: 12352100
• PubChem Substance ID: 57647710
• NACRES: NA.21

Properties

• vapor density: 4.21 (vs air)
• Quality Level: 200
• vapor pressure: 10 mmHg ( 132 °C)
• assay: 99.5-100.5% (alkalimetric)
• form: crystalline
• autoignition temp.: 1061 °F
• quality: meets analytical specification of Ph. Eur., BP, USP, FCC, E210
• impurities: oxidisable substances, complies; residual solvents, complies; ≤0.0005% heavy metals (as Pb); ≤0.03% halogen compounds (as Cl); ≤0.7% water (Karl Fischer)
• ign. residue: ≤0.05% (as SO₄)
• loss: ≤0.5% loss on drying, 3 h (via H₂SO₄)
• pH: 3-5 (20 °C, 0.1%)
• bp: 249 °C (lit.)
• mp: 121-125 °C (lit.)
• solubility: water: soluble (2.9 g/l at 25 °C)
• cation traces: As: ≤3 mg/kg; Cu: ≤10 mg/kg; Hg: ≤1 mg/kg; Pb: ≤2 mg/kg; Zn: ≤20 mg/kg
• suitability: complies for appearance of solution; complies for reaction against H₂SO₄
• 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 aromatic monocarboxylic acid. It occurs in the form of colorless leaflets or needles. It reacts with hydrogenating reagents to afford hexahydrobenzoic acid. On decomposition (by heating) in the presence of lime or alkali, it affords benzene and carbon dioxide. It can be synthesized by the cobalt or manganese catalyzed atmospheric oxidation of toluene.[1]

Application

Benzoic acid may be employed as a standard in the quantitative and calorimetric studies. It may be employed as an intermediate in the synthesis of the following:[1]

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

It was used to investigate the mechanism of complex addition reaction of hydroxyl radicals with various aromatic compounds.[2]

Safety Information

• pictograms: GHS08,GHS05
• signalword: Danger
• hcodes: H315,H318,H372
• pcodes: 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: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves