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.


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

Structural Properties:

Molecular Formula: C7H6O2
Molecular Weight: 122,1213

Pharmacophore Features:

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


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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)


CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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.

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