Calcium citrate

Calcium citrate

2D structure of calcium citrate
Calcium citrate tetrahydrate[1]
Calcium citrate tetrahydrate
Names
IUPAC name 2-hydroxy-1,2,3-propane-tricarboxylic acid calcium salt (2:3)
Other names E333, tricalcium dicitrate
Identifiers
CAS Number	813-94-5 Y[PubChem] 5785-44-4 (tetrahydrate) Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:190513
ChEMBL	ChEMBL2106123
ChemSpider	12584 Y
DrugBank	DB11093
ECHA InfoCard	100.011.265
EC Number	212-391-7
E number	E333 (antioxidants, ...)
PubChem CID	13136
UNII	86117BWO7P Y MLM29U2X85 (tetrahydrate) Y
CompTox Dashboard (EPA)	DTXSID7061148
InChI InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6 Y Key: FNAQSUUGMSOBHW-UHFFFAOYSA-H Y InChI=1/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6 Key: FNAQSUUGMSOBHW-CYFPFDDLAZ
SMILES [Ca+2].[Ca+2].[Ca+2].O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O
Properties
Chemical formula	Ca3(C6H5O7)2
Molar mass	498.4334 g/mol (anhydrous) 570.4945 g/mol (tetrahydrate)
Appearance	White powder
Odor	odorless
Density	1.63 g/cm3 (anhydrous) 2.00 g/cm3 (tetrahydrate)[1]
Melting point	Decomposes
Boiling point	Decomposes
Solubility in water	0.85 g/L (18 °C) 0.95 g/L (25 °C)
Solubility	insoluble in alcohol
Structure
Crystal structure	Triclinic (tetrahydrate)
Space group	P1, No. 2
Lattice constant	a = 0.59466(4) nm, b = 1.02247(8) nm, c = 1.66496(13) nm α = 72.213(7)°, β = 79.718(7)°, γ = 89.791(6)°[1]
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Irritant
NFPA 704 (fire diamond)	1 1 0
Related compounds
Other cations	Magnesium citrate Strontium citrate
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

Calcium citrate is the calcium salt of citric acid. It is commonly used as a food additive (E333), usually as a preservative, but sometimes for flavor. In this sense, it is similar to sodium citrate. Calcium citrate is also found in some dietary calcium supplements (e.g. Citracal or Caltrate). Calcium makes up 24.1% of calcium citrate (anhydrous) and 21.1% of calcium citrate (tetrahydrate) by mass. The tetrahydrate occurs in nature as the mineral Earlandite.