Benzoic Acid

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Benzoic Acid (Wikipedia)
Benzoic acid
Skeletal formula
Ball-and-stick model
Benzoic acid crystals
Benzoic acid crystals
Names
IUPAC name
Benzoic acid
Other names
Carboxybenzene; E210; Dracylic acid; Phenylmethanoic acid; Benzenecarboxylic acid
Identifiers
65-85-0 YesY
3DMet B00053
636131
ChEBI CHEBI:30746 YesY
ChEMBL ChEMBL541 YesY
ChemSpider 238 YesY
DrugBank DB03793 YesY
EC Number 200-618-2
2946
Jmol 3D image Interactive graph
Interactive graph
KEGG D00038 YesY
MeSH benzoic+acid
PubChem 243
RTECS number DG0875000
UNII 8SKN0B0MIM YesY
Properties
C7H6O2
Molar mass 122.12 g·mol−1
Appearance Colorless crystalline solid
Odor faint, pleasant odor
Density 1.2659 g/cm3 (15 °C)
1.0749 g/cm3 (130 °C)
Melting point 122.41 °C (252.34 °F; 395.56 K)
Boiling point 249.2 °C (480.6 °F; 522.3 K)
370 °C (698 °F; 643 K)
decomposes
1.7 g/L (0 °C)
2.7 g/L (18 °C)
3.44 g/L (25 °C)
5.51 g/L (40 °C)
21.45 g/L (75 °C)
56.31 g/L (100 °C)
Solubility soluble in acetone, benzene, CCl4, CHCl3, alcohol, ethyl ether, hexane, phenyls, liquid ammonia, acetates
Solubility in methanol 30 g/100 g (-18 °C)
32.1 g/100 g (-13 °C)
71.5 g/100 g (23 °C)
Solubility in ethanol 25.4 g/100 g (-18 °C)
47.1 g/100 g (15 °C)
52.4 g/100 g (19.2 °C)
55.9 g/100 g (23 °C)
Solubility in acetone 54.2 g/100 g (20 °C)
Solubility in olive oil 4.22 g/100 g (25 °C)
Solubility in 1,4-Dioxane 55.3 g/100 g (25 °C)
log P 1.87
Vapor pressure 0.16 Pa (25 °C)
0.19 kPa (100 °C)
22.6 kPa (200 °C)
Acidity (pKa) 4.202
1.5397 (20 °C)
1.504 (132 °C)
Viscosity 1.26 mPa (130 °C)
Structure
Monoclinic
planar
1.72 D in Dioxane
Thermochemistry
146.7 J/mol·K
167.6 J/mol·K
-385.2 kJ/mol
3228 kJ/mol
Hazards
Main hazards Irritant
Safety data sheet JT Baker
GHS pictograms The corrosion pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS)The exclamation-mark pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS)
GHS signal word Danger
H318, H335
P261, P280, P305+351+338
Irritant Xi
R-phrases R37, R41
S-phrases S26, S39
NFPA 704
Flammability code 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g., canola oilHealth code 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g., chloroformReactivity code 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g., liquid nitrogenSpecial hazards (white): no codeNFPA 704 four-colored diamond
Flash point 121.5 °C (250.7 °F; 394.6 K)
571 °C (1,060 °F; 844 K)
Lethal dose or concentration (LD, LC):
1700 mg/kg (rat, oral)
Related compounds
Hydroxybenzoic acids
Aminobenzoic acids,
Nitrobenzoic acids,
Phenylacetic acid
Related compounds
Benzaldehyde,
Benzyl alcohol,
Benzoyl chloride,
Benzylamine,
Benzamide
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Benzoic acid /bɛnˈz.ɪk/, C7H6O2 (or C6H5COOH), is a colorless crystalline solid and a simple aromatic carboxylic acid. The name is derived from gum benzoin, which was for a long time its only known source. Benzoic acid occurs naturally in many plants and it serves as an intermediate in the biosynthesis of many secondary metabolites. Salts of benzoic acid are used as food preservatives and benzoic acid is an important precursor for the industrial synthesis of many other organic substances. The salts and esters of benzoic acid are known as benzoates /ˈbɛnz.t/.

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