U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O2
Molecular Weight 122.1213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoic acid

SMILES

OC(=O)C1=CC=CC=C1

InChI

InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-N
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

HIDE SMILES / InChI

Description
Curator's Comment: description was created based on several sources, including: http://apps.who.int/medicinedocs/en/d/Jh2918e/24.2.html | http://www.wikidoc.org/index.php/Benzoic_acid | http://www.who.int/ipcs/publications/cicad/cicad26_rev_1.pdf | https://www.ewg.org/skindeep/ingredient/700679/BENZOIC_ACID/

Benzoic acid is a natural ingredient occurring in many foodstuffs and in plant extracts. Benzoic acid, its salts and esters are used as preservatives in cosmetic products, with a maximum concentration of 0.5 %. Benzoic acid and sodium benzoate are on the FDA list of substances that are generally recognized as safe (GRAS). Both may be used as antimicrobial agents, flavouring agents and as adjuvants with a current maximum level of 0.1% in food. Benzoic acid is a constituent of Whitfield Ointment, which is used for the treatment of fungal skin diseases such as tinea, ringworm, and athlete's foot. Adverse effect of Whitfield Ointment: occasionally, a localized mild inflammatory response occurs.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Whitfield’s ointment

Approved Use

Treatment of mild superficial fungal infections, particularly tinea pedis, tinea corporis and, occasionally, tinea capitis.
Curative
Whitfield’s ointment

Approved Use

Treatment of mild superficial fungal infections, particularly tinea pedis, tinea corporis and, occasionally, tinea capitis.
Primary
UCEPHAN

Approved Use

Sodium benzoate and sodium phenylacetate combination is used to treat a condition caused by too much ammonia in the blood (hyperammonemia).

Launch Date

1987
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
99.7 μg/mL
40 mg single, oral
dose: 40 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BENZOIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
104.4 μg × h/mL
40 mg single, oral
dose: 40 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BENZOIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
0.5 h
40 mg single, oral
dose: 40 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
BENZOIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: FASTED
PubMed

PubMed

TitleDatePubMed
A system of qualitative analysis for the common metals in presence of phosphates, using ammonium benzoate.
1947 Oct
[Influence of sodium benzoate, p-aminobenzoic acid and ammonium benzoate on the lethal doses of procaine and lidocaine in male rats (author's transl)].
1973 Dec
Studies of aflatoxins in Chiang Mai, Thailand.
1992 Apr
[Studies on the infrared and fluorescence spectra of europium lanthanum-benzoate complexes].
1999 Aug
Acid tolerance of Escherichia coli O157:H7 and its survival in apple juice.
2001
Clinical follow-up method for frontal sinus obliteration with bioactive glass S53P4.
2001
Anaerobic degradation of aromatic compounds coupled to Fe(III) reduction by Ferroglobus placidus.
2001 Apr
In vivo 1H magnetic resonance spectroscopic measurement of brain glycine levels in nonketotic hyperglycinemia.
2001 Apr
Estrogenic activity and metabolism of n-butyl benzyl phthalate in vitro: identification of the active molecule(s).
2001 Apr 15
Isolation and preliminary characterization of the medium-chain fatty acid:CoA ligase responsible for activation of short- and medium-chain fatty acids in colonic mucosa from swine.
2001 Feb
Synthesis, characterization and in vitro degradation of a new family of alternate poly(ester-anhydrides) based on aliphatic and aromatic diacids.
2001 Feb
Solubilization of rapamycin.
2001 Feb 1
Interaction of hydrophobic anions with the rat skeletal muscle chloride channel ClC-1: effects on permeation and gating.
2001 Feb 1
Signature metabolites attesting to the in situ attenuation of alkylbenzenes in anaerobic environments.
2001 Feb 15
Cloning and expression of thermophilic catechol 1,2-dioxygenase gene (catA) from Streptomyces setonii.
2001 Feb 5
p-Formamidobenzoic acid.
2001 Jan
Photoinduced ortho [2 + 2] cycloaddition of double bonds to triplet benzenes.
2001 Jan
Current strategies for the management of neonatal urea cycle disorders.
2001 Jan
Substrate specificity of human cathepsin D using internally quenched fluorescent peptides derived from reactive site loop of kallistatin.
2001 Jan 12
Quantitative analysis of crystalline pharmaceuticals in powders and tablets by a pattern-fitting procedure using X-ray powder diffraction data.
2001 Jan 16
Polyacrylamides as hydrophilic selectors in non-aqueous capillary electrophoresis.
2001 Jan 5
Oral agents for the treatment of type 2 diabetes mellitus: pharmacology, toxicity, and treatment.
2001 Jul
Estrogen attenuates the drinking response induced by activation of angiotensinergic pathways from the lateral hypothalamic area to the subfornical organ in female rats.
2001 Jul
Characterization of the reaction mechanism for the XL-I form of bovine liver xenobiotic/medium-chain fatty acid:CoA ligase.
2001 Jul 1
Differential effects of naturally occurring isothiocyanates on the activities of cytochrome P450 2E1 and the mutant P450 2E1 T303A.
2001 Jul 1
Mutagenicity of electrophilic N-acyloxy-N-alkoxyamides.
2001 Jul 25
Reactions of O*- with methyl benzoate: a negative ion chemical ionization and Fourier transform ion cyclotron resonance study.
2001 Jun
A multicenter study of patch test reactions with dental screening series.
2001 Jun
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid.
2001 Jun
Hepatic uptake and metabolism of benzoate: a multiple indicator dilution, perfused rat liver study.
2001 Jun
Hippuric acid as a modifier of calcium oxalate crystallisation.
2001 Mar
Hippuric acid test using 13C-labelling and NMR spectroscopy.
2001 Mar
A calorimetrically based method to convert toxic compounds into poly-3-hydroxybutyrate and to determine the efficiency and velocity of conversion.
2001 Mar
Stochastic-convective transport with nonlinear reaction and mixing: application to intermediate-scale experiments in aerobic biodegradation in saturated porous media.
2001 Mar
Validation of an HPLC method for the quantification of ambroxol hydrochloride and benzoic acid in a syrup as pharmaceutical form stress test for stability evaluation.
2001 Mar
Enhanced biodegradation of petrochemical wastewater using ozonation and BAC advanced treatment system.
2001 Mar
Heterogenous and homogenous catalytic oxidation by supported gamma-FeOOH in a fluidized-bed reactor: kinetic approach.
2001 Mar 15
Comparative binding energy (COMBINE) analysis of influenza neuraminidase-inhibitor complexes.
2001 Mar 15
Comamonas nitrativorans sp. nov., a novel denitrifier isolated from a denitrifying reactor treating landfill leachate.
2001 May
Tyrosine and phenylalanine catabolism by Lactobacillus cheese flavor adjuncts.
2001 May
Interaction of the novel anticonvulsant, BIA 2-093, with voltage-gated sodium channels: comparison with carbamazepine.
2001 May
Analysis for organic residues from aids to polymerization used to make plastics intended for food contact.
2001 May
Two dimeric CuII benzoate derivatives solvated with acetonitrile.
2001 May
Modeling the survival of Escherichia coli O157:H7 in apple cider using probability distribution functions for quantitative risk assessment.
2001 May
Asbestos causes apoptosis in alveolar epithelial cells: role of iron-induced free radicals.
2001 May
Method for the measurement of antioxidant activity in human fluids.
2001 May
The role of Cys108 in Trigonopsis variabilis d-amino acid oxidase examined through chemical oxidation studies and point mutations C108S and C108D.
2010 Jul
Patents

Sample Use Guides

Oral/Parenteral Toxicity: oral-rat LD50 825 mg/kg oral-mouse LD50 235 mg/kg intravenous-rabbit LDLo 400 mg/kg
Route of Administration: Other
Colorimetric titration of protein thiol groups revealed that in the presence of ammonium benzoate (0.12 mM), the two muteins were not oxidized at cysteines whereas in the wild-type enzyme, one thiol group was derivatized.
Name Type Language
Benzoic acid
EP   FCC   FHFI   GREEN BOOK   HSDB   II   INCI   MART.   MI   USP   USP-RS   VANDF   WHO-DD  
INCI  
Official Name English
PHENYLFORMIC ACID
Systematic Name English
BENZOIC ACID [USP MONOGRAPH]
Common Name English
Benzoic acid [WHO-DD]
Common Name English
BENZOICUM ACIDUM
HPUS  
Common Name English
GLYCOPYRRONIUM BROMIDE IMPURITY D [EP IMPURITY]
Common Name English
BENZOATE
Systematic Name English
BENZOIC ACID [EP MONOGRAPH]
Common Name English
B A
Common Name English
VEVOVITALL
Brand Name English
BENZENEFORMIC ACID
Systematic Name English
METRONIDAZOLE BENZOATE IMPURITY C [EP IMPURITY]
Common Name English
FEMA NO. 2131
Code English
INS-210
Code English
BENZOIC ACID [VANDF]
Common Name English
PHENYLCARBOXYLIC ACID
Systematic Name English
BENZOIC ACID [GREEN BOOK]
Common Name English
METHYLAMINOLEVULINATE HYDROCHLORIDE IMPURITY I [EP]
Common Name English
BENZOIC ACID [MI]
Common Name English
INS NO.210
Code English
BENZOIC ACID [JAN]
Common Name English
ACIDUM BENZOICUM [WHO-IP LATIN]
Common Name English
TIAPROFENIC ACID IMPURITY D [EP]
Common Name English
BENZOIC ACID [II]
Common Name English
BENZOIC ACID [INCI]
Common Name English
BENZENECARBOXYLIC ACID
Systematic Name English
DRACYLIC ACID
Common Name English
NSC-149
Code English
BENZOICUM ACIDUM [HPUS]
Common Name English
BENZOIC ACID [MART.]
Common Name English
BENZOIC ACID (E 210)
Common Name English
BENZOIC ACID [USP-RS]
Common Name English
BENZOIC ACID [HSDB]
Common Name English
MENNO-FLORADES
Brand Name English
CARBOXYBENZENE
Systematic Name English
BENZOIC ACID [FCC]
Common Name English
E-210
Code English
BENZOIC ACID [WHO-IP]
Common Name English
HYDROUS BENZOYL PEROXIDE IMPURITY B [EP IMPURITY]
Common Name English
MEFENAMIC ACID IMPURITY D [EP IMPURITY]
Common Name English
BENZENEMETHANOIC ACID
Systematic Name English
BENZOIC ACID [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION INS-210
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
FDA ORPHAN DRUG 11385
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
FDA ORPHAN DRUG 77993
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
NDF-RT N0000175807
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
EPA PESTICIDE CODE 9101
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
NDF-RT N0000175806
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
CFR 21 CFR 310.527
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
LOINC 75065-3
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
CFR 21 CFR 573.210
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
FDA ORPHAN DRUG 365712
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
CODEX ALIMENTARIUS (GSFA) INS-210
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
CFR 21 CFR 184.1021
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
CONCEPT Industrial Aid
FDA UNII
8SKN0B0MIM
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
RXCUI
70589
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
ALTERNATIVE
CHEBI
30746
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
SMS_ID
100000090433
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
BENZOIC ACID
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY Description: Colourless, light, feathery crystals or a white, microcrystalline powder; odour, characteristic, faint. Solubility: Slightly soluble in water; freely soluble in ethanol (~750 g/l) TS, ether R. Category: Dermatological agent. Storage: Benzoic acid should be kept in a well-closed container. Definition: Benzoic acid contains not less than 99.0% and not more than 100.5% of C7H6O2, calculated with reference to the anhydrous substance.
DAILYMED
8SKN0B0MIM
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
NSC
149
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
NCI_THESAURUS
C61646
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
MESH
D019817
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
ChEMBL
CHEMBL541
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
HSDB
704
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
JECFA MONOGRAPH
743
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
MERCK INDEX
m2363
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY Merck Index
RXCUI
18989
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
RS_ITEM_NUM
1055002
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
PUBCHEM
243
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID6020143
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
CHEBI
16150
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
WIKIPEDIA
BENZOIC ACID
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
DRUG BANK
DB03793
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
EVMPD
SUB12469MIG
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
CAS
65-85-0
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
200-618-2
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY
DRUG CENTRAL
4664
Created by admin on Fri Dec 15 15:08:03 GMT 2023 , Edited by admin on Fri Dec 15 15:08:03 GMT 2023
PRIMARY