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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O2.Ca
Molecular Weight 282.305
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BENZOATE

SMILES

[Ca++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C2=CC=CC=C2

InChI

InChIKey=NSQPPSOSXWOZNH-UHFFFAOYSA-L
InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C7H5O2
Molecular Weight 121.1134
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Calcium benzoate is the calcium salt of benzoic acid. Used as a preservative, both antibacterial and antifungal. Calcium benzoate can be found in concentrated pineapple juice. People who suffer from asthma, aspirin sensitivity or the skin disease urticaria may have allergic reactions and/or find their symptoms become worse following consumption of benzoic acid, particularly in combination with tartrazine (E102). Calcium benzoate (E213) is approved for use as a food additive in the EU, USA and Australia and New Zealand.

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of steel corrosion by calcium benzoate adsorption in nitrate solutions: theoretical and experimental approaches.
2004 Oct 15
Structure and physical stability of hydrates and thermotropic mesophase of calcium benzoate.
2006 May
The application of bioactive compounds from the food industry to control mold growth in indoor waterborne coatings.
2013 Apr 1
Crystal structure of catena-poly[calcium-di-μ3-benzoato-κ(6) O,O':O-μ2-(dimethyl sulfoxide)-κ(2) O:O].
2015 Aug 1
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Eight barrows (Yorkshire x [Finnish Landrace x Dutch Landrace]), initially 30 kg BW, were fitted with ileal cannulas to evaluate the effects of supplementing Ca benzoate (2.4%) and organic acids (OA) in the amount of 300 mEq acid/kg feed on dietary buffering capacity (BC), apparent digestibility and retention of nutrients, and manure characteristics.
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Tue Oct 22 05:28:32 UTC 2019
Edited
by admin
on Tue Oct 22 05:28:32 UTC 2019
Record UNII
3QDE968MKD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM BENZOATE
FCC   INCI  
INCI  
Official Name English
CALCIUM BENZOATE [INCI]
Common Name English
CALCIUM BENZOATE [FCC]
Common Name English
E-213
Code English
INS-213
Code English
CALCIUM BENZOATE (E 213)
Common Name English
BENZOIC ACID, CALCIUM SALT
Common Name English
CALCIUM DIBENZOATE
Systematic Name English
MONOCALCIUM BENZOATE
Systematic Name English
INS NO.213
Code English
E213
Common Name English
BENZOCALOL
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 326110
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
CODEX ALIMENTARIUS (GSFA) INS-213
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
JECFA EVALUATION INS-213
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
Code System Code Type Description
NCI_THESAURUS
C92224
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
PRIMARY
WIKIPEDIA
CALCIUM BENZOATE
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
PRIMARY
ECHA (EC/EINECS)
218-235-4
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
PRIMARY
CAS
2090-05-3
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
PRIMARY
JECFA MONOGRAPH
INS-213
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
CONCEPT Industrial Aid
EVMPD
SUB184162
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
PRIMARY
EPA CompTox
2090-05-3
Created by admin on Tue Oct 22 05:28:33 UTC 2019 , Edited by admin on Tue Oct 22 05:28:33 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE