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242381

Sigma-Aldrich

Benzoic acid

ACS reagent, ≥99.5%

Linear Formula:
C6H5COOH
CAS Number:
Molecular Weight:
122.12
Beilstein:
636131
EC Number:
MDL number:
eCl@ss:
39023903
PubChem Substance ID:

grade

ACS reagent

Quality Level

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

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

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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.

Packaging

25, 100, 500 g in poly bottle
3 kg in poly drum

Pictograms

CorrosionHealth hazard

Signal Word

Danger

Hazard Statements

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

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

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