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109479

Sigma-Aldrich

Benzoic acid

ReagentPlus®, 99%

Synonym(s):

Benzenecarboxylic acid, Carboxybenzene

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About This Item

Linear Formula:
C6H5COOH
CAS Number:
Molecular Weight:
122.12
Beilstein:
636131
EC Number:
MDL number:
UNSPSC Code:
12352100
eCl@ss:
39023903
PubChem Substance ID:
NACRES:
NA.21

vapor density

4.21 (vs air)

Quality Level

vapor pressure

10 mmHg ( 132 °C)

product line

ReagentPlus®

Assay

99%

form

crystalline

autoignition temp.

1061 °F

packaging

poly bottle of 500 g

bp

249 °C (lit.)

mp

121-125 °C (lit.)

solubility

water: soluble 2.9 g/L at 25 °C

functional group

carboxylic acid
phenyl

storage temp.

room temp

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 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 following syntheses:
  • paints
  • pigments
  • varnish
  • wetting agents
  • aroma compounds
  • benzoyl chloride
  • benzotrichloride

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Health hazardCorrosion

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

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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