427608

Benzoic acid

purified by sublimation, ≥99%

• 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
• PubChem Substance ID: 57650128
• NACRES: NA.21

Properties

• vapor density: 4.21 (vs air)
• Quality Level: 100
• vapor pressure: 10 mmHg ( 132 °C)
• Assay: ≥99%
• form: crystalline
• autoignition temp.: 1061 °F
• purified by: sublimation
• packaging: poly bottle of 10 g
• bp: 249 °C (lit.)
• mp: 121-125 °C (lit.)
• solubility: alcohol: soluble(lit.); benzene: soluble(lit.); chloroform: soluble(lit.)
• 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 (BA) is an aromatic monocarboxylic acid. It is synthesized by the oxidizing toluene with atmospheric oxygen catalyzed by cobalt and manganese catalysts. It is utilized in cosmetic formulations as a pH adjuster and preservative. The elimination channels during the photodissociation of benzoic acid have been studied using multimass ion imaging techniques. Structural information and molecular constants have been obtained by microwave spectroscopy. Crystal structure study reveals that BA crystals are monoclinic with space group P2₁/c. Studies in bean and tomato plants have shown that BA induces stress tolerance at lower concentration.

Application

Benzoic acid (BA) may be used:

• As a model compound in understanding the adsorption of aromatic carboxylic acids on gold surfaces.
• As test sample in studying the photocatalytic activities of metal doped TiO₂.
• As an extracting agent of methylene blue (MB) from industrial wastewater by liquid–liquid extraction (LLE).

Disclaimer

The product is not intended for use as a biocide under global biocide regulations, including but not limited to US EPA′s Federal Insecticide Fungicide and Rodenticide Act, European Biocidal Products Regulation, Canada’s Pest Management Regulatory Agency, Turkey’s Biocidal Products Regulation, Korea’s Consumer Chemical Products and Biocide Safety Management Act (K-BPR) and others.

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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves