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Details

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

Description

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.

CNS Activity

Originator

Approval Year

1921
1426
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
7197
Tinea Capitis
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Glycolysis / Gluconeogenesis
Approved
7777
Whitfield’s ointment
Primary
Glycolysis / Gluconeogenesis
Approved
7777
UCEPHAN
Primary
Glycolysis / Gluconeogenesis
Approved
7777
Whitfield’s ointment
PubMed

PubMed

TitleDatePubMed
Current strategies for the management of neonatal urea cycle disorders.
2001 Jan
Oral agents for the treatment of type 2 diabetes mellitus: pharmacology, toxicity, and treatment.
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
m-Iodobenzoic acid complexes with selected metals: molecular structure and antimicrobial activity.
2001 Jun
Mineralization of 2,4-D, mecoprop, isoproturon and terbuthylazine in a chalk aquifer.
2001 Jun
Reactions of O*- with methyl benzoate: a negative ion chemical ionization and Fourier transform ion cyclotron resonance study.
2001 Jun
Comamonas nitrativorans sp. nov., a novel denitrifier isolated from a denitrifying reactor treating landfill leachate.
2001 May
Separation of a phenol carboxylating organism from a two-member, strict anaerobic co-culture.
2001 May
Photosensitization of crystalline and amorphous titanium dioxide by platinum(IV) chloride surface complexes.
2001 May 4
Patents

Patents

4808213
3
JP1004631A
3
JPH02107657A
3
JPS62209071A
3
US1591245 A
3
US2952703 A
3
US3210416 A
3

Sample Use Guides

In Vivo Use Guide
A thin layer of ointment or cream should be applied twice daily to all infected areas for at least 4 weeks.
Route of Administration: Oral/Parenteral
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 Mon Oct 21 20:03:41 UTC 2019
Edited
by admin
on Mon Oct 21 20:03:41 UTC 2019
Record UNII
8SKN0B0MIM
Record Status Validated (UNII)
Record Version
  • Download
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
BENZOICUM ACIDUM
HPUS  
Common Name English
BENZOATE
Systematic Name English
HYDROUS BENZOYL PEROXIDE IMPURITY B [EP]
Common Name English
B A
Common Name English
VEVOVITALL
Brand Name English
BENZENEFORMIC ACID
Systematic 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
BENZOIC ACID [MI]
Common Name English
BENZOIC ACID [WHO-DD]
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
GLYCOPYRRONIUM BROMIDE IMPURITY D [EP]
Common Name 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 [EP]
Common Name English
BENZOIC ACID [FCC]
Common Name English
E-210
Code English
BENZOIC ACID [WHO-IP]
Common Name English
BENZENEMETHANOIC ACID
Systematic Name English
BENZOIC ACID [FHFI]
Common Name English
BENZOIC ACID [USP]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION INS-210
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
FDA ORPHAN DRUG 11385
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
FDA ORPHAN DRUG 77993
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
NDF-RT N0000175807
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
EPA PESTICIDE CODE 9101
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
NDF-RT N0000175806
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
CFR 21 CFR 310.527
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
CFR 21 CFR 573.210
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
FDA ORPHAN DRUG 365712
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
CODEX ALIMENTARIUS (GSFA) INS-210
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
CFR 21 CFR 184.1021
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
Code System Code Type Description
NCI_THESAURUS
C45678
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
CONCEPT Industrial Aid
JECFA MONOGRAPH
INS-210
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
RXCUI
70589
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
ALTERNATIVE
WHO INTERNATIONAL PHARMACOPEIA
BENZOIC ACID
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
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.
NCI_THESAURUS
C61646
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
MESH
D019817
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
ChEMBL
CHEMBL541
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
HSDB
65-85-0
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
MERCK INDEX
M2363
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY Merck Index
RXCUI
18989
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
PUBCHEM
243
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
EPA CompTox
65-85-0
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
WIKIPEDIA
BENZOIC ACID
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
DRUG BANK
DB03793
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
EVMPD
SUB12469MIG
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
CAS
65-85-0
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
ECHA (EC/EINECS)
200-618-2
Created by admin on Mon Oct 21 20:03:41 UTC 2019 , Edited by admin on Mon Oct 21 20:03:41 UTC 2019
PRIMARY
Related Record Type Details
Structure of RIZATRIPTAN BENZOATE
SALT/SOLVATE -> PARENT
Structure of SODIUM BENZOATE
SALT/SOLVATE -> PARENT
Structure of CAFFEINE BENZOATE
SALT/SOLVATE -> PARENT
Structure of TRIETHANOLAMINE BENZOATE
SALT/SOLVATE -> PARENT
Structure of EMAMECTIN B1A BENZOATE
SALT/SOLVATE -> PARENT
Structure of DENATONIUM BENZOATE ANHYDROUS
SALT/SOLVATE -> PARENT
Structure of CALCIUM BENZOATE
SALT/SOLVATE -> PARENT
PAEONIA LACTIFLORA ROOT
PARENT -> CONSTITUENT ALWAYS PRESENT
MIC 320 mg/L for ATCC 700392 and ATCC 700824 strains of H. pylori.
Structure of ALUMINUM BENZOATE
SALT/SOLVATE -> PARENT
Structure of MAGNESIUM BENZOATE
SALT/SOLVATE -> PARENT
Structure of LEAD BENZOATE
SALT/SOLVATE -> PARENT
Structure of POTASSIUM BENZOATE
SALT/SOLVATE -> PARENT
Structure of MERCURIC BENZOATE
SALT/SOLVATE -> PARENT
Structure of ZINC BENZOATE
SALT/SOLVATE -> PARENT
Structure of ALOGLIPTIN BENZOATE
SALT/SOLVATE -> PARENT
Structure of EMAMECTIN B1B BENZOATE
SALT/SOLVATE -> PARENT
Structure of SAXAGLIPTIN BENZOATE MONOHYDRATE
SALT/SOLVATE -> PARENT
Structure of CJ-15161 BENZOATE MONOHYDRATE
SALT/SOLVATE -> PARENT
PAEONIA X SUFFRUTICOSA ROOT
PARENT -> CONSTITUENT ALWAYS PRESENT
Structure of LITHIUM BENZOATE
SALT/SOLVATE -> PARENT
Structure of NALTREXONE BENZOATE
SALT/SOLVATE -> PARENT
Structure of OXYQUINOLINE BENZOATE
SALT/SOLVATE -> PARENT
Structure of DENATONIUM BENZOATE
SALT/SOLVATE -> PARENT
Structure of MANGANESE BENZOATE
SALT/SOLVATE -> PARENT
Structure of PHENYLMERCURIC BENZOATE
SALT/SOLVATE -> PARENT
Structure of CJ-15161 BENZOATE
SALT/SOLVATE -> PARENT
STYRAX TONKINENSIS RESIN
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
Structure of AMPHETAMINE
PARENT -> METABOLITE
Related Record Type Details
Structure of BENZOIC ACID
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of BENZOYL PEROXIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of TIAPROFENIC ACID
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of BENZOIC ACID
ACTIVE MOIETY
http://apps.who.int/phint/pdf/b/Jb.6.1.49.pdf
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