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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O2.Ca
Molecular Weight 282.305
Optical Activity NONE
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
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
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

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

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
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
3QDE968MKD
Record Status Validated (UNII)
Record Version