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About This Item
Linear Formula:
C6H5COOH
CAS Number:
Molecular Weight:
122.12
NACRES:
NA.21
PubChem Substance ID:
eCl@ss:
39023903
UNSPSC Code:
12352100
EC Number:
200-618-2
MDL number:
Beilstein/REAXYS Number:
636131
Assay:
99%
Form:
crystalline
Product Name
Benzoic acid, ReagentPlus®, 99%
vapor density
4.21 (vs air)
Quality Level
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
functional group
carboxylic acid, phenyl
storage temp.
room temp
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 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
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
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signalword
Danger
hcodes
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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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 109479-3KG | 04061838688552 |
| 109479-500G | 04061838688569 |

