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33047

Benzoic acid

ACS reagent grade, ≥99.9% (alkalimetric), crystalline, puriss. p.a., reag. Ph. Eur.

Synonym(s):

Benzenecarboxylic acid, Carboxybenzene

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About This Item

Linear Formula:
C6H5COOH
CAS Number:
65-85-0
Molecular Weight:
122.12
NACRES:
NA.21
PubChem Substance ID:
57648745
eCl@ss:
39023903
UNSPSC Code:
12352100
EC Number:
200-618-2
MDL number:
MFCD00002398
Beilstein/REAXYS Number:
636131
Assay:
≥99.9% (alkalimetric)
Form:
crystalline
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Product Name

Benzoic acid, puriss. p.a., ACS reagent, reag. Ph. Eur., ≥99.9% (alkalimetric)

agency

reag. Ph. Eur.

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

grade

ACS reagent, puriss. p.a.

assay

≥99.9% (alkalimetric)

form

crystalline

autoignition temp.

1061 °F

impurities

readily oxidisable substances, in accordance, ≤0.002% S-compounds (as S), ≤0.005% halogen compounds (as Cl), ≤0.005% insoluble in methanol

ign. residue

≤0.005% (as SO4)

bp

249 °C (lit.)

mp

121-125 °C (lit.)

solubility

water: soluble (2.9 g/l at 25 °C)

anion traces

sulfate (SO42-): ≤20 mg/kg

cation traces

Cu: ≤5 mg/kg, Fe: ≤5 mg/kg, Pb: ≤2 mg/kg, Zn: ≤5 mg/kg

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

General description

Benzoic acid is an organic 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 the quantitative and calorimetric studies. It may be employed as an intermediate in the synthesis of following products:
  • paints
  • pigments
  • varnish
  • wetting agents
  • aroma compounds
  • benzoyl chloride
  • benzotrichloride

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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

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6120
STBK3160
STBK2401
STBJ8741
STBJ8740

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Eagleson M.
Concise Encyclopedia Chemistry, 122-122 (1994)
G C Tremblay et al.
Pharmacology & therapeutics, 60(1), 63-90 (1993-10-01)
Detoxification of sodium benzoate by elimination as a conjugate with glycine, a nonessential amino acid, provides a pathway for the disposal of waste nitrogen. Since 1979, sodium benzoate has been widely used in the therapeutic regimen to combat ammonia toxicity
S Nacht et al.
Journal of the American Academy of Dermatology, 4(1), 31-37 (1981-01-01)
The transepidermal penetration and metabolic disposition of 14C-benzoyl peroxide were assessed in vitro (excised human skin) and in vivo (rhesus monkey). In vitro, the benzoyl peroxide penetrated into the skin, through the stratum corneum or the follicular openings, or both
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Global Trade Item Number

SKUGTIN
33047-100G-R04061826725993
33047-1KG-R04061826726006
33047-250G-R04061826726013