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
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
| Molecular Formula | C7H5O2 |
| Molecular Weight | 121.1134 |
| Charge | -1 |
| Count |
|
| 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 |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
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
| Title | Date | PubMed |
|---|---|---|
| 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
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
| Substance Class |
Chemical
Created
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Fri Dec 15 14:57:52 UTC 2023
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Fri Dec 15 14:57:52 UTC 2023
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3QDE968MKD
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Validated (UNII)
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| Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
326110
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CODEX ALIMENTARIUS (GSFA) |
INS-213
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JECFA EVALUATION |
INS-213
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| Code System | Code | Type | Description | ||
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C92224
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CALCIUM BENZOATE
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3QDE968MKD
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218-235-4
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100000170330
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1086378
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2090-05-3
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62425
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C45678
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CONCEPT | Industrial Aid | ||
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SUB184162
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DTXSID4044612
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |
