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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5O2.Na
Molecular Weight 144.1034
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM BENZOATE

SMILES

c1ccc(cc1)C(=O)[O-].[Na+]

InChI

InChIKey=WXMKPNITSTVMEF-UHFFFAOYSA-M
InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H5O2
Molecular Weight 121.1137
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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/

Ammonium benzoate, a white solid, is the ammonium salt of benzoic acid. A coarse, white powder, ammonium benzoate is used in the coatings industry as a cost-effective, amine-free flash rust inhibitor for ferrous substrates. Ammonium benzoate is also used as a preservative in certain adhesives and rubber latex and is commonly used as industrial preservative for paper wrappers, an agent for reducing curing time in vulcanization of rubber and an analytical reagent for various elements. In personal care products, ammonium benzoate is used as a preservative.

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

5.671296E11
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
Acid tolerance of Escherichia coli O157:H7 and its survival in apple juice.
2001
Directed control of electroosmotic flow in nonaqueous electrolytes using poly(ethylene glycol) coated capillaries.
2001
Anaerobic degradation of aromatic compounds coupled to Fe(III) reduction by Ferroglobus placidus.
2001 Apr
Specific antioxidant activity of caffeoyl derivatives and other natural phenolic compounds: LDL protection against oxidation and decrease in the proinflammatory lysophosphatidylcholine production.
2001 Apr
Triterpene and flavanone glycoside from Rhododendron simsii.
2001 Apr
Novel retinoidal tropolone derivatives. Bioisosteric relationship of tropolone ring with benzoic acid moiety in retinoid structure.
2001 Apr
In vivo 1H magnetic resonance spectroscopic measurement of brain glycine levels in nonketotic hyperglycinemia.
2001 Apr
Long-term treatment with sodium phenylbutyrate in ornithine transcarbamylase-deficient patients.
2001 Apr
Separation and determination of flavonoids and other phenolic compounds in cranberry juice by high-performance liquid chromatography.
2001 Apr 13
Laterally attached liquid-crystalline polymers as stationary phases in reversed-phase high-performance liquid chromatography. III. Effect of the local anisotropic order on the separation of polycyclic aromatic hydrocarbons.
2001 Apr 13
Antineoplastic agents. 450. Synthesis of (+)-pancratistatin from (+)-narciclasine as relay(1a).
2001 Apr 20
Single-molecule magnets: Jahn-Teller isomerism and the origin of two magnetization relaxation processes in Mn12 complexes.
2001 Apr 23
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
Non-ionic micellar affinity capillary electrophoresis for analysis of interactions between micelles and drugs.
2001 Feb
Increased leukotriene production by food additives in patients with atopic dermatitis and proven food intolerance.
2001 Feb
Convenient synthesis of 4,6-di-O-benzyl-myo-inositol and myo-inositol 1,3,5-orthoesters.
2001 Feb 15
Dansylation of hydroxyl and carboxylic acid functional groups.
2001 Feb 26
Determination of benzoyl peroxide and benzoic acid levels by HPLC during wheat flour bleaching process.
2001 Jan
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
A novel pathway of aerobic benzoate catabolism in the bacteria Azoarcus evansii and Bacillus stearothermophilus.
2001 Jul 6
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
[Kinetics of in vitro drug release from chitosan and N-alkyl chitosan membranes].
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
Geobacter hydrogenophilus, Geobacter chapellei and Geobacter grbiciae, three new, strictly anaerobic, dissimilatory Fe(III)-reducers.
2001 Mar
Stochastic-convective transport with nonlinear reaction and mixing: application to intermediate-scale experiments in aerobic biodegradation in saturated porous media.
2001 Mar
High-performance liquid chromatographic method development and validation for the simultaneous quantitation of naproxen sodium and pseudoephedrine hydrochloride impurities.
2001 Mar
Enhanced biodegradation of petrochemical wastewater using ozonation and BAC advanced treatment system.
2001 Mar
Headspace analysis of engine oil by gas chromatography/mass spectrometry.
2001 Mar 15
ATR-FTIR spectroscopic investigations on the effect of solvents on the permeation of benzoic acid and salicylic acid through silicone membranes.
2001 Mar 23
Cytosolic xanthine oxidoreductase mediated bioactivation of ethanol to acetaldehyde and free radicals in rat breast tissue. Its potential role in alcohol-promoted mammary cancer.
2001 Mar 7
Comamonas nitrativorans sp. nov., a novel denitrifier isolated from a denitrifying reactor treating landfill leachate.
2001 May
Effect of several organic acids on phosphate adsorption by variable charge soils of central China.
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
The biosynthesis of benzoic acid glucosinolate esters in Arabidopsis thaliana.
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
Electric field analysis on the improved skin concentration of benzoate by electroporation.
2001 May 21
The loading module of rifamycin synthetase is an adenylation-thiolation didomain with substrate tolerance for substituted benzoates.
2001 May 22
Photosensitization of crystalline and amorphous titanium dioxide by platinum(IV) chloride surface complexes.
2001 May 4
The photochemistry of 2-(1-naphthyl)ethyl benzoates: cycloaddition and intramolecular exciplex formation.
2001 May 4
Melatonin receptor agents: synthesis, resolution by HPLC on polysaccharides chiral stationary phases, absolute configuration, and pharmacology of the enantiomers of (+/-)-N-[[2[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.
2001 May 5
Patents

Sample Use Guides

A thin layer of ointment or cream should be applied twice daily to all infected areas for at least 4 weeks.
Route of Administration: Topical
In Vitro Use Guide
At concentrations of benzoic acid up to 4 mM, fermentation was stimulated and only low levels of benzoate were accumulated. Near the MIC (10 mM), fermentation was inhibited, ATP levels declined, and benzoate was accumulated to relatively higher levels.
Substance Class Chemical
Created
by admin
on Fri Jun 25 21:15:28 UTC 2021
Edited
by admin
on Fri Jun 25 21:15:28 UTC 2021
Record UNII
OJ245FE5EU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM BENZOATE
EP   FCC   FHFI   HSDB   II   INCI   MART.   MI   ORANGE BOOK   USAN   USP-RS   VANDF   WHO-DD  
USAN   INCI  
Official Name English
SODIUM BENZOATE [USAN]
Common Name English
UCEPHAN COMPONENT SODIUM BENZOATE
Common Name English
ANTIMOL
Common Name English
SODIUM BENZOATE [VANDF]
Common Name English
FUMINARU
Common Name English
INS-211
Code English
SODIUM BENZOATE [USP-RS]
Common Name English
INS NO.211
Code English
SODIUM BENZOATE [HSDB]
Common Name English
SOBENATE
Common Name English
SODIUM BENZOATE [WHO-DD]
Common Name English
SODIUM BENZOATE [MI]
Common Name English
SODIUM BENZOATE [FCC]
Common Name English
SODIUM BENZOATE [EP MONOGRAPH]
Common Name English
MICROCARE SB
Common Name English
SODIUM BENZOATE [JAN]
Common Name English
SODIUM BENZOATE COMPONENT OF AMMONUL
Common Name English
SODIUM BENZOATE [MART.]
Common Name English
SODIUM BENZOATE [FHFI]
Common Name English
E-211
Code English
SODIUM BENZOATE [INCI]
Common Name English
SODIUM BENZOATE COMPONENT OF UCEPHAN
Common Name English
FEMA NO. 3025
Code English
SODIUM BENZOATE [ORANGE BOOK]
Common Name English
SODIUM BENZOATE [II]
Common Name English
PUROX S
Common Name English
AMMONUL COMPONENT SODIUM BENZOATE
Common Name English
Classification Tree Code System Code
CODEX ALIMENTARIUS (GSFA) INS-211
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
CFR 21 CFR 184.1733
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
WHO-ATC A16AX11
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
EPA PESTICIDE CODE 9103
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
FDA ORPHAN DRUG 357411
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
EU-Orphan Drug EU/3/19/2166
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
WHO-ATC V04CG30
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
DSLD 1194 (Number of products:6)
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
FDA ORPHAN DRUG 197804
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
WHO-VATC QV04CG30
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
JECFA EVALUATION INS-211
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
FDA ORPHAN DRUG 367512
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
Code System Code Type Description
RXCUI
56455
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY RxNorm
NCI_THESAURUS
C66541
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
EVMPD
SUB12577MIG
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
PUBCHEM
517055
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
ECHA (EC/EINECS)
208-534-8
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
DRUG CENTRAL
4373
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
HSDB
696
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
USP_CATALOG
1613564
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY USP-RS
WIKIPEDIA
SODIUM BENZOATE
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
ChEMBL
CHEMBL1356
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
JECFA MONOGRAPH
INS-211
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
CONCEPT Industrial Aid
FDA UNII
OJ245FE5EU
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
DRUG BANK
DBSALT001289
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
MERCK INDEX
M9988
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY Merck Index
CAS
532-32-1
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
MESH
D020160
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
EPA CompTox
532-32-1
Created by admin on Fri Jun 25 21:15:28 UTC 2021 , Edited by admin on Fri Jun 25 21:15:28 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY