benzoic acid

Synonyms: "dracylic acid", "benzeneformic acid", "carboxybenzene", "benzenecarboxylic acid", "phenylformic acid", "retardex", "benzenemethanoic acid", "phenylcarboxylic acid"

Source: benzoic acid is used in the manufacture of plasticisers, resin coatings and caprolactam. It is an antiseptics, antifungal, antipyretic agent, and can be used as an alkalimetric standard. Added to alcoholic beverages, baked goods, cheeses, gum, condiments, frozen dairy, relishes, soft sweets, cordials and sugar substitutes. It is also used in cosmetics, as an antiseptic in many cough medications and an antifungal in ointments.

Identifiers:

IUPAC Name: benzoic acid
CAS Number: 65-85-0
PubChem ID: 243
InChiKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C(=O)O

Structural Properties:

Molecular Formula: C₇H₆O₂
Molecular Weight: 122.121

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 9

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Mineo H, Ohdate T, Fukumura K, Katayama T, Onaga T, Kato S, Yanaihara N. 1995. Effects of benzoic acid and its analogues on insulin and glucagon secretion in sheep. Eur J Pharmacol 280(2):149-154.