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Merck

18102

Sigma-Aldrich

Benzoesäure

meets analytical specification of Ph. Eur., BP, USP, FCC, E210, 99.5-100.5% (alkalimetric)

Synonym(e):

Benzenecarboxylic acid, Carboxybenzene

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About This Item

Lineare Formel:
C6H5COOH
CAS-Nummer:
Molekulargewicht:
122.12
Beilstein:
636131
EG-Nummer:
MDL-Nummer:
UNSPSC-Code:
12352100
PubChem Substanz-ID:
NACRES:
NA.21

Dampfdichte

4.21 (vs air)

Qualitätsniveau

Dampfdruck

10 mmHg ( 132 °C)

Assay

99.5-100.5% (alkalimetric)

Form

crystalline

Selbstzündungstemp.

1061 °F

Qualität

meets analytical specification of Ph. Eur., BP, USP, FCC, E210

Verunreinigungen

oxidisable substances, complies
residual solvents, complies
≤0.0005% heavy metals (as Pb)
≤0.03% halogen compounds (as Cl)
≤0.7% water (Karl Fischer)

Glührückstand

≤0.05% (as SO4)

Verlust

≤0.5% loss on drying, 3 h (via H2SO4)

pH-Wert

3-5 (20 °C, 0.1%)

bp

249 °C (lit.)

mp (Schmelzpunkt)

121-125 °C (lit.)

Löslichkeit

water: soluble (2.9 g/l at 25 °C)

Kationenspuren

As: ≤3 mg/kg
Cu: ≤10 mg/kg
Hg: ≤1 mg/kg
Pb: ≤2 mg/kg
Zn: ≤20 mg/kg

Eignung

complies for appearance of solution
complies for reaction against H2SO4

SMILES String

OC(=O)c1ccccc1

InChI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChIKey

WPYMKLBDIGXBTP-UHFFFAOYSA-N

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Allgemeine Beschreibung

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.

Anwendung

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 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.

Piktogramme

Health hazardCorrosion

Signalwort

Danger

Gefahreneinstufungen

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

Zielorgane

Lungs

Lagerklassenschlüssel

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 1

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable

Persönliche Schutzausrüstung

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


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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)
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
G C Tremblay et al.
Pharmacology & therapeutics, 60(1), 63-90 (1993-10-01)
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