All Photos(2)

109479

Sigma-Aldrich

Benzoic acid

ReagentPlus®, 99%

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

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

product line

ReagentPlus®

assay

99%

form

crystalline

autoignition temp.

1061 °F

packaging

poly bottle of 500 g

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

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General description

Benzoic acid is an organic aromatic monocarboxylic acid. 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 following syntheses:
  • paints
  • pigments
  • varnish
  • wetting agents
  • aroma compounds
  • benzoyl chloride
  • benzotrichloride

Packaging

500 g in poly bottle
3 kg in poly drum

Legal Information

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Pictograms

CorrosionHealth hazard

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Target Organs

Lungs

Storage Class Code

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

WGK

WGK 1

Flash Point(F)

249.8 °F

Flash Point(C)

121 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Certificate of Origin

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)
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
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.
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.

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