Calcium benzoate

Calcium benzoate
Names
	Preferred IUPAC name Calcium dibenzoate
	Other names E213; Benzoic acid, calcium salt;
Identifiers
CAS Number	2090-05-3 ;
3D model (JSmol)	Interactive image;
ChemSpider	56210 ;
ECHA InfoCard	100.016.578
EC Number	218-235-4;
E number	E213 (preservatives)
PubChem CID	62425;
UNII	3QDE968MKD ;
CompTox Dashboard (EPA)	DTXSID4044612 ;
	InChI InChI=1S/2C7H6O2.Ca/c28-7(9)6-4-2-1-3-5-6;/h21-5H,(H,8,9);/q;;+2/p-2 Key: NSQPPSOSXWOZNH-UHFFFAOYSA-L ; InChI=1/2C7H6O2.Ca/c28-7(9)6-4-2-1-3-5-6;/h21-5H,(H,8,9);/q;;+2/p-2 Key: NSQPPSOSXWOZNH-NUQVWONBAQ;
	SMILES [Ca+2].[O-]C(=O)c1ccccc1.[O-]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 [77 °F], 100 kPa). verify (what is ?) Infobox references

Calcium benzoate refers to the calcium salt of benzoic acid. When used in the food industry as a preservative, its E number is E213 (INS number 213); it is approved for use as a food additive in the EU,^[1] USA and Australia and New Zealand.^[2]

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.^[3]

^ UK Food Standards Agency: "Current EU approved additives and their E Numbers". Retrieved 2011-10-27.
^ "Standard 1.2.4 - Labelling of ingredients". Australia New Zealand Food Standards Code. 8 September 2011. Retrieved 2011-10-27.
^ Einspahr, H.; Bugg, C. E. (1981). "The geometry of calcium carboxylate interactions in crystalline complexes". Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 37 (5): 1044–1052. Bibcode:1981AcCrB..37.1044E. doi:10.1107/S0567740881005037.

[1] UK Food Standards Agency: "Current EU approved additives and their E Numbers". Retrieved 2011-10-27.

[2] "Standard 1.2.4 - Labelling of ingredients". Australia New Zealand Food Standards Code. 8 September 2011. Retrieved 2011-10-27.

[3] Einspahr, H.; Bugg, C. E. (1981). "The geometry of calcium carboxylate interactions in crystalline complexes". Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 37 (5): 1044–1052. Bibcode:1981AcCrB..37.1044E. doi:10.1107/S0567740881005037.

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Names


Preferred IUPAC name Calcium dibenzoate
Other names E213 Benzoic acid, calcium salt
Identifiers
CAS Number	2090-05-3^Y
3D model (JSmol)	Interactive image
ChemSpider	56210^Y
ECHA InfoCard	100.016.578
EC Number	218-235-4
E number	E213 (preservatives)
PubChem CID	62425
UNII	3QDE968MKD^N
CompTox Dashboard (EPA)	DTXSID4044612
InChI InChI=1S/2C7H6O2.Ca/c28-7(9)6-4-2-1-3-5-6;/h21-5H,(H,8,9);/q;;+2/p-2^Y Key: NSQPPSOSXWOZNH-UHFFFAOYSA-L^Y InChI=1/2C7H6O2.Ca/c28-7(9)6-4-2-1-3-5-6;/h21-5H,(H,8,9);/q;;+2/p-2 Key: NSQPPSOSXWOZNH-NUQVWONBAQ
SMILES [Ca+2].[O-]C(=O)c1ccccc1.[O-]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 [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references