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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O2.Ca.3H2O
Molecular Weight 336.351
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BENZOATE TRIHYDRATE

SMILES

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

InChI

InChIKey=HZQXCUSDXIKLGS-UHFFFAOYSA-L
InChI=1S/2C7H6O2.Ca.3H2O/c2*8-7(9)6-4-2-1-3-5-6;;;;/h2*1-5H,(H,8,9);;3*1H2/q;;+2;;;/p-2

HIDE SMILES / InChI
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

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
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

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
In Vitro Use Guide
Unknown
Name Type Language
CALCIUM BENZOATE TRIHYDRATE
Systematic Name English
BENZOIC ACID CALCIUM SALT TRIHYDRATE [MI]
Common Name English
BENZOIC ACID, CALCIUM SALT, HYDRATE (2:1:3)
Common Name English
BENZOIC ACID, CALCIUM SALT, TRIHYDRATE
Common Name English
BENZOIC ACID CALCIUM SALT TRIHYDRATE
MI  
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30206018
Created by admin on Sat Dec 16 04:36:18 GMT 2023 , Edited by admin on Sat Dec 16 04:36:18 GMT 2023
PRIMARY
PUBCHEM
24212009
Created by admin on Sat Dec 16 04:36:18 GMT 2023 , Edited by admin on Sat Dec 16 04:36:18 GMT 2023
PRIMARY
MERCK INDEX
m2363
Created by admin on Sat Dec 16 04:36:18 GMT 2023 , Edited by admin on Sat Dec 16 04:36:18 GMT 2023
PRIMARY Merck Index
FDA UNII
209829NC6Z
Created by admin on Sat Dec 16 04:36:18 GMT 2023 , Edited by admin on Sat Dec 16 04:36:18 GMT 2023
PRIMARY
CAS
5743-30-6
Created by admin on Sat Dec 16 04:36:18 GMT 2023 , Edited by admin on Sat Dec 16 04:36:18 GMT 2023
PRIMARY