Benzoic acid
SIAL/18102 - meets analytical specification of Ph. Eur., BP, USP, FCC, E210, 99.5-100.5% (alkalimetric)
Synonym: Benzenecarboxylic acid; Carboxybenzene
CAS Number: 65-85-0
Empirical Formula (Hill Notation): C7H6O2
Molecular Weight: 122.12
EC Number: 200-618-2
MDL Number: MFCD00002398
Linear Formula: C6H5COOH
Product Type: Chemical
| assay | 99.5-100.5% (alkalimetric) |
| autoignition temp. | 1061 °F |
| bp | 249 °C (lit.) |
| cation traces | As: ≤3 mg/kg |
| Cu: ≤10 mg/kg | |
| Hg: ≤1 mg/kg | |
| Pb: ≤2 mg/kg | |
| Zn: ≤20 mg/kg | |
| form | crystalline |
| ign. residue | ≤0.05% (as SO4) |
| impurities | oxidisable substances, complies |
| residual solvents, complies | |
| ≤0.0005% heavy metals (as Pb) | |
| ≤0.03% halogen compounds (as Cl) | |
| ≤0.7% water (Karl Fischer) | |
| InChI | 1S/C7H6O2/c8-7(9)6-4-2-1- |
| InChI key | WPYMKLBDIGXBTP-UHFFFAOYSA |
| loss | ≤0.5% loss on drying, 3 h (via H2SO4) |
| mp | 121-125 °C (lit.) |
| pH | 3-5 (20 °C, 0.1%) |
| quality | meets analytical specification of Ph. Eur., BP, USP, FCC, E210 |
| Quality Level | 200  |
| SMILES string | OC(=O)c1ccccc1 |
| solubility | water: soluble (2.9 g/l at 25 °C) |
| suitability | complies for appearance of solution |
| complies for reaction against H2SO4 | |
| vapor density | 4.21 (vs air) |
| vapor pressure | 10 mmHg ( 132 °C) |
| 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: • 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. |
| 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. |
| Symbol |   GHS05,GHS08 |
| Signal word | Danger |
| Hazard statements | H315 - H318 - H372 |
| Precautionary statements | P280 - P305 + P351 + P338 + P310 - P314 |
| Hazard Codes | T,Xi |
| Risk Statements | 38-41-48/23 |
| Safety Statements | 26-39-45-63 |
| WGK Germany | WGK 1 |
| Flash Point(F) | 249.8 °F - closed cup |
| Flash Point(C) | 121 °C - closed cup |
| Purity | 99.5-100.5% (alkalimetric) |
| bp | 249 °C (lit.) |
| mp | 121-125 °C (lit.) |
| UNSPSC | 12352100 |