33047

Benzoic acid

puriss. p.a., ACS reagent, reag. Ph. Eur., ≥99.9% (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
• eCl@ss: 39023903
• PubChem Substance ID: 57648745
• NACRES: NA.21

Properties

• grade: ACS reagent; puriss. p.a.
• Quality Level: 200
• agency: reag. Ph. Eur.
• vapor density: 4.21 (vs air)
• vapor pressure: 10 mmHg ( 132 °C)
• assay: ≥99.9% (alkalimetric)
• form: crystalline
• autoignition temp.: 1061 °F
• impurities: readily oxidisable substances, in accordance; ≤0.002% S-compounds (as S); ≤0.005% halogen compounds (as Cl); ≤0.005% insoluble in methanol
• ign. residue: ≤0.005% (as SO₄)
• bp: 249 °C (lit.)
• mp: 121-125 °C (lit.)
• solubility: water: soluble (2.9 g/l at 25 °C)
• anion traces: sulfate (SO₄^2-): ≤20 mg/kg
• cation traces: Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Pb: ≤2 mg/kg; Zn: ≤5 mg/kg
• 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 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.

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 following products:

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

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