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Merck

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

Key Documents

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Product Name

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

InChI key

WPYMKLBDIGXBTP-UHFFFAOYSA-N

InChI

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

SMILES string

OC(=O)c1ccccc1

grade

ACS reagent, puriss. p.a.

agency

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

functional group

carboxylic acid, phenyl

Quality Level

200

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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

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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

33047-6X1KG-R: + 33047-1.5KG-R: + 33047-250G-R: + 33047-VAR-R: + 33047-6X250G-R: + 33047-BULK-R: + 33047-1KG-R: + 33047-100G-R: + 33047-6X100G-R:

jan

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB6732
SDBB5391
STBL3198
STBK6120
STBK8408

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Eagleson M.
Concise Encyclopedia Chemistry, 122-122 (1994)
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)
Wanchun Xiang et al.
ChemSusChem, 6(2), 256-260 (2013-01-25)
Sensing the sun: Incorporation of a cyanomethyl benzoic acid electron acceptor into donor-π-acceptor sensitizers for dye-sensitized-solar cell is shown to lead to devices with improved conversion efficiency when compared with more widely used cyanoacetic acid acceptor.
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
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
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