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Calcium benzoate

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Calcium benzoate
Names
IUPAC name Calcium dibenzoate
Other names E213
Benzoic acid, calcium salt
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.016.578 Edit this at Wikidata
EC Number
  • 218-235-4
E number E213 (preservatives)
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2Key: NSQPPSOSXWOZNH-UHFFFAOYSA-L
  • InChI=1/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2Key: NSQPPSOSXWOZNH-NUQVWONBAQ
SMILES
  • .C(=O)c1ccccc1.C(=O)c1ccccc1
Properties
Chemical formula Ca(C7H5O2)2
Molar mass 282.31 g/mol
Solubility in water 2.32 g/100 mL (0 °C)
2.72 g/100 mL (20 °C)
8.7 g/100 mL (100 °C)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

Calcium benzoate refers to the calcium salt of benzoic acid. When used in the food industry as a preservative, its E number is E213.

The formulas and structures of calcium carboxylate derivatives of calcium and related metals are complex. Generally the coordination number is eight and the carboxylates form Ca-O bonds. Another variable is the degree of hydration.

Reference

  1. H. Einspahr and C. E. Bugg "The geometry of calcium carboxylate interactions in crystalline complexes" Acta Cryst. (1981). B37, pages 1044-1052. doi:10.1107/S0567740881005037

See also

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