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33047

Sigma-Aldrich

Benzoic acid

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

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

Quality Level

grade

ACS reagent
puriss. p.a.

Agency/Method

reag. Ph. Eur.

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

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

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 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

pictograms

CorrosionHealth hazard

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation

Target Organs

Lungs

Storage Class Code

6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK Germany

WGK 1

Flash Point F

249.8 °F - closed cup

Flash Point C

121 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Eagleson M.
Concise Encyclopedia Chemistry, 122-122 (1994)
Renbo Wei et al.
Macromolecular rapid communications, 34(4), 330-334 (2013-01-03)
A new approach is developed to fabricate highly oriented mono-domain LCE nano/microstructures through micro-molding in capillaries. Gratings and microwires as two typical examples are fabricated and characterized by polarizing optical microscopy, optical microscopy, and scanning electron microscopy. The gratings with...
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...
Michelle G Rooks et al.
The ISME journal, 8(7), 1403-1417 (2014-02-07)
Dysregulated immune responses to gut microbes are central to inflammatory bowel disease (IBD), and gut microbial activity can fuel chronic inflammation. Examining how IBD-directed therapies influence gut microbiomes may identify microbial community features integral to mitigating disease and maintaining health....
Copper-mediated C-H/C-H biaryl coupling of benzoic acid derivatives and 1,3-azoles.
Mayuko Nishino et al.
Angewandte Chemie (International ed. in English), 52(16), 4457-4461 (2013-03-21)

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