Benzoic Acid

Catalog	BBC65850
CAS	65-85-0
Structure
Description	Benzoic acid is a white (or colorless) solid with the formula C6H5CO2H. It is the simplest aromatic carboxylic acid. Salts of benzoic acid are used as food preservatives. 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.
Synonyms	Benzenemethanoic acid
IUPAC Name	Benzoic acid
Molecular Weight	122.12
Molecular Formula	C7H6O2
Canonical SMILES	C1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI Key	WPYMKLBDIGXBTP-UHFFFAOYSA-N
Boiling Point	249 °C (lit.)
Melting Point	121-125 °C (lit.)
Purity	98%
Density	1.08 g/ml
Appearance	White to yellow-beige to orange powder
Active Content	95%
EC Number	200-618-2
pH	3.66 (1 mM solution)
pKa	4.19
Solubility in Water	2.9 g/L