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12356

Benzoic acid

tested according to Ph. Eur.

Synonym(s):

Acidum benzoicum

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About This Item

Linear Formula:
C6H5COOH
CAS Number:
65-85-0
Molecular Weight:
122.12
EC Number:
200-618-2
UNSPSC Code:
12352100
PubChem Substance ID:
329749722
Beilstein/REAXYS Number:
636131
MDL number:
MFCD00002398
Assay:
99.9%
Form:
crystalline
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agency

USP/NF, tested according to Ph. Eur.

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

assay

99.9%

form

crystalline

autoignition temp.

1061 °F

bp

249 °C (lit.)

mp

121-125 °C (lit.)

solubility

water: soluble (2.9 g/l at 25 °C)

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

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.

Application

Benzoic acid may be employed as a standard in 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.

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pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

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

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBT8619
BCBR8969V
BCBK2035V

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Hydroxylation by electrochemically generated OH. radicals. Mono-and polyhydroxylation of benzoic acid: products and isomer distribution.
Oturan MA and Pinson J.
The Journal of Physical Chemistry, 99(38), 13948-13954 (1995)
Eagleson M.
Concise Encyclopedia Chemistry, 122-122 (1994)
Ly Dieu Tran et al.
Journal of the American Chemical Society, 134(44), 18237-18240 (2012-10-30)
An auxiliary-assisted, copper catalyzed or promoted sulfenylation of benzoic acid derivative β-C-H bonds and benzylamine derivative γ-C-H bonds has been developed. The method employs disulfide reagents, copper(II) acetate, and DMSO solvent at 90-130 °C. Application of this methodology to the
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Global Trade Item Number

SKUGTIN
12356-1KG04061826714362