Calcium acetate

Calcium acetate
	; Calcium acetate crystals
Names
	Preferred IUPAC name Calcium diacetate
	Other names Acetate of lime; Calcium ethanoate
Identifiers
CAS Number	62-54-4 ; 5743-26-0 (monohydrate) ;
3D model (JSmol)	Interactive image; Interactive image;
Abbreviations	Ca(OAc)2
Beilstein Reference	3692527
ChEBI	CHEBI:3310 ;
ChEMBL	ChEMBL1200800 ;
ChemSpider	5890 ;
DrugBank	DB00258 ;
ECHA InfoCard	100.000.492
EC Number	269-613-0;
E number	E263 (preservatives)
Gmelin Reference	22320
KEGG	D00931 ;
PubChem CID	6116;
RTECS number	AF7525000;
UNII	Y882YXF34X ; 7ZA48GIM5H (monohydrate) ;
CompTox Dashboard (EPA)	DTXSID0020234 ;
	InChI InChI=1S/2C2H4O2.Ca/c21-2(3)4;/h21H3,(H,3,4);/q;;+2/p-2 Key: VSGNNIFQASZAOI-UHFFFAOYSA-L ; InChI=1/2C2H4O2.Ca/c21-2(3)4;/h21H3,(H,3,4);/q;;+2/p-2 Key: VSGNNIFQASZAOI-NUQVWONBAW;
	SMILES CC(=O)O[Ca]OC(=O)C; [Ca+2].[O-]C(=O)C.[O-]C(=O)C;
Properties
Chemical formula	C4H6CaO4
Molar mass	158.166 g/mol (anhydrous); 176.181 g/mol (monohydrate)
Appearance	White solid ; hygroscopic
Odor	slight acetic acid odor
Density	1.509 g/cm3
Melting point	160 °C (320 °F; 433 K) decomposition to CaCO3 + acetone
Solubility in water	37.4 g/100 mL (0 °C) ; 34.7 g/100 mL (20 °C) ; 29.7 g/100 mL (100 °C)
Solubility	slightly soluble in methanol, hydrazine ; insoluble in acetone, ethanol and benzene
Acidity (pKa)	ca. 0.7
Magnetic susceptibility (χ)	-70.7·10−6 cm3/mol
Refractive index (nD)	1.55
Pharmacology
ATC code	V03AE07 (WHO)
Hazards
NFPA 704 (fire diamond)	1 1 0
Autoignition; temperature	680 to 730 °C (1,256 to 1,346 °F; 953 to 1,003 K)
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	4280 mg/kg (oral, rat)
Related compounds
Other cations	Magnesium acetate
	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 acetate is a chemical compound which is a calcium salt of acetic acid. It has the formula Ca(C₂H₃O₂)₂. Its standard name is calcium acetate, while calcium ethanoate is the systematic name. An older name is acetate of lime. The anhydrous form is very hygroscopic; therefore the monohydrate (Ca(CH₃COO)₂•H₂O) is the common form.

^ International Union of Pure and Applied Chemistry (2014). Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013. The Royal Society of Chemistry. p. 801. doi:10.1039/9781849733069. ISBN 978-0-85404-182-4.
^ Dale L. Perry (May 19, 2011). Handbook of Inorganic Compounds (Second ed.). Taylor & Francis. p. 84. ISBN 978-1-4398-1461-1.

[1] International Union of Pure and Applied Chemistry (2014). Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013. The Royal Society of Chemistry. p. 801. doi:10.1039/9781849733069. ISBN 978-0-85404-182-4.

[2] Dale L. Perry (May 19, 2011). Handbook of Inorganic Compounds (Second ed.). Taylor & Francis. p. 84. ISBN 978-1-4398-1461-1.

[1]

[2]

Names

Calcium acetate crystals
Preferred IUPAC name Calcium diacetate^[1]
Other names Acetate of lime Calcium ethanoate
Identifiers
CAS Number	62-54-4^Y 5743-26-0 (monohydrate)^Y
3D model (JSmol)	Interactive image Interactive image
Abbreviations	Ca(OAc)₂
Beilstein Reference	3692527
ChEBI	CHEBI:3310^Y
ChEMBL	ChEMBL1200800^N
ChemSpider	5890^Y
DrugBank	DB00258^Y
ECHA InfoCard	100.000.492
EC Number	269-613-0
E number	E263 (preservatives)
Gmelin Reference	22320
KEGG	D00931^Y
PubChem CID	6116
RTECS number	AF7525000
UNII	Y882YXF34X^Y 7ZA48GIM5H (monohydrate)^Y
CompTox Dashboard (EPA)	DTXSID0020234
InChI InChI=1S/2C2H4O2.Ca/c21-2(3)4;/h21H3,(H,3,4);/q;;+2/p-2^Y Key: VSGNNIFQASZAOI-UHFFFAOYSA-L^Y InChI=1/2C2H4O2.Ca/c21-2(3)4;/h21H3,(H,3,4);/q;;+2/p-2 Key: VSGNNIFQASZAOI-NUQVWONBAW
SMILES CC(=O)O[Ca]OC(=O)C [Ca+2].[O-]C(=O)C.[O-]C(=O)C
Properties
Chemical formula	C₄H₆CaO₄
Molar mass	158.166 g/mol (anhydrous) 176.181 g/mol (monohydrate)
Appearance	White solid hygroscopic
Odor	slight acetic acid odor
Density	1.509 g/cm³
Melting point	160 °C (320 °F; 433 K)^[2] decomposition to CaCO₃ + acetone
Solubility in water	37.4 g/100 mL (0 °C) 34.7 g/100 mL (20 °C) 29.7 g/100 mL (100 °C)
Solubility	slightly soluble in methanol, hydrazine insoluble in acetone, ethanol and benzene
Acidity (pK_a)	ca. 0.7
Magnetic susceptibility (χ)	-70.7·10⁻⁶ cm³/mol
Refractive index (n_D)	1.55
Pharmacology
ATC code	V03AE07 (WHO)
Hazards
NFPA 704 (fire diamond)	1 1 0
Autoignition temperature	680 to 730 °C (1,256 to 1,346 °F; 953 to 1,003 K)
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	4280 mg/kg (oral, rat)
Related compounds
Other cations	Magnesium acetate
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