Name: Calcium acetate
SKU: 62-54-4

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Basic Information

Molecular Structure:
CAS No.:	62-54-4
Name:	Calcium acetate
Article Data:	57

Formula:	C₄H₆CaO₄
Molecular Weight:	158.167
Synonyms:	Aceticacid, calcium salt (8CI,9CI);Calcium acetate (6CI);Brown acetate;Calciumdiacetate;Gray acetate;Lime acetate;Lime pyrolignite;PhosLo;Royen;Sanopan;Sorbo-Calcion;Teltozan;
EINECS:	200-540-9
Density:	1.5 g/cm³
Melting Point:	160 °C (dec.)
Boiling Point:	117.1 °C at 760 mmHg
Flash Point:	40 °C
Solubility:	H₂O: 1 M at 20 °C
Appearance:	white crystals or powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	52.60000
LogP:	0.02760

Synthetic route

: 64-19-7
acetic acid

: 62-54-4
calcium acetate

Conditions

Conditions	Yield
With calcium carbonate In water	100%
With calcium hydroxide

: calcium(II) nitrate tetrahydrate

: 108-24-7
acetic anhydride

: 62-54-4
calcium acetate

Conditions

Conditions	Yield
In acetic anhydride byproducts: NO2, Ca(NO3)2; heating a clear soln. of 6 g Ca(NO3)2*4H2O and 30 ml acetic anhydride; pptn.;; storage for some time in 96% ethanol, to remove Ca(NO3)2; sucking off; dehydration by 2 h heating in vac. at 130°C;;	71%
In acetic anhydride byproducts: NO2, Ca(NO3)2; heating a clear soln. of 6 g Ca(NO3)2*4H2O and 30 ml acetic anhydride; pptn.;; storage for some time in 96% ethanol, to remove Ca(NO3)2; sucking off; dehydration by 2 h heating in vac. at 130°C;;	71%

: 13477-34-4
calcium(II) nitrate

: 108-24-7
acetic anhydride

: 62-54-4
calcium acetate

Conditions

Conditions	Yield
In acetic anhydride H2O free;;	59%
In acetic anhydride H2O free;;	59%

: 108-24-7
acetic anhydride

: 62-54-4
calcium acetate

Conditions

Conditions	Yield
With calcium(II) nitrate

: 141-78-6
ethyl acetate

quicklime: quicklime

A: 64-17-5
ethanol

B: 62-54-4
calcium acetate

Conditions

Conditions	Yield
at 250℃; bei der Behandlung mit Wasser;

...Expand

: 64-19-7
acetic acid

: calcium carbonate

: 62-54-4
calcium acetate

Conditions

Conditions	Yield
In water for 2.5h;
In acetic acid Kinetics; byproducts: H2O, CO2; kinetic of CaCO3 dissolution in acetic acid at temp. 283-343 K was studied; elem. anal.;
In water gray lime production: CaCO3 from production of acetone; concg. to dryness;;

: 64-19-7
acetic acid

: calcium oxide

: 62-54-4
calcium acetate

Conditions

Conditions	Yield
In water Product distribution / selectivity;
In water gray lime production: treatment of raw acetic acid;;
In acetic acid addn. of acetic acid (even diluted) to CaO at ambient temp. or faster and more complete at elevated temp.;;

: 64-19-7
acetic acid

: calcium hydroxide

: 62-54-4
calcium acetate

Conditions

Conditions	Yield
In acetic acid sample dissoln. in AcOH glaciale, heating on steam bath;
In water gray lime production: treatment of raw acetic acid described; neutralisation with milk of lime;; purification via destillation;;
In water gray lime production: apparatus described;;

: 301-04-2
lead acetate

: 75-20-7
calcium carbide

A: 62-54-4
calcium acetate

B: lead (II) hydroxide

Conditions

Conditions	Yield
In water byproducts: C2H2;

...Expand

: 7778-54-3
calcium hypochlorite

: 67-64-1
acetone

A: 67-66-3
chloroform

B: 62-54-4
calcium acetate

C: calcium hydroxide

Conditions

Conditions	Yield
In acetone Ca(ClO)2 reacts with acetone forming CHCl3, Ca(CH3CO2)2 and Ca(OH)2;;
In acetone Ca(ClO)2 reacts with acetone forming CHCl3, Ca(CH3CO2)2 and Ca(OH)2;;

...Expand

Raw Materials

13477-34-4

141-78-6

544-17-2

563-63-3

108-24-7

628-63-7

Downstream Products

141-78-6

6046-93-1

533-17-5

67-64-1

69-46-5

563-80-4

110-43-0

111-13-7

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History

Because it is inexpensive, calcium acetate(62-54-4) was once a common starting material for the synthesis of acetone before the development of the cumene process.
Calcium Acetate(62-54-4) can be prepared by soaking eggshells in vinegar. Since both reagants would have been available pre-historically, the chemical would have been observable as crystals then.

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Calcium acetate is an organic compound with the formula C₄H₆CaO₄. The IUPAC name of this chemical is calcium diacetate. With the CAS registry number 62-54-4, it is also named as Diacétate de calcium . The product's classification codes are Chelating Agents; Mutation Data; Pharmaceutic Aid [buffering agent]. Besides, it is a white crystals or powder, which should be stored in a closed and dry place. It is mainly used in candy products as a food additive.

Physical properties about Calcium acetate are: (1)ACD/LogP: -0.29; (2)ACD/LogD (pH 5.5): -1.07; (3)ACD/LogD (pH 7.4): -2.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 37.3 Å²; (11)Flash Point: 40 °C; (12)Enthalpy of Vaporization: 23.7 kJ/mol; (13)Boiling Point: 117.1 °C at 760 mmHg; (14)Vapour Pressure: 13.9 mmHg at 25°C.

Uses of Calcium acetate: it was formerly used to manufacture acetone by thermal decomposition:
Ca(OCOCH₃)₂ → (CH₃)₂C=O + CaO + CO₂

Preparation: this chemical can be prepared by the reaction of calcium carbonate or calcium hydroxide with acetic acid.
Ca(OH)₂ + CH₃CO₂H → Ca(OCOCH₃)₂ + 2H₂O

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)C.[O-]C(=O)C
(2)InChI: InChI=1/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
(3)InChIKey: VSGNNIFQASZAOI-NUQVWONBAW
(4)Std. InChI: InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
(5)Std. InChIKey: VSGNNIFQASZAOI-UHFFFAOYSA-L

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	75mg/kg (75mg/kg)	Acta Biologica et Medica Germanica. Vol. 6, Pg. 447, 1961.
mouse	LD50	intravenous	203mg/kg (203mg/kg)	Journal of Laboratory and Clinical Medicine. Vol. 29, Pg. 809, 1944.
rat	LDLo	intravenous	147mg/kg (147mg/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 71, Pg. 1, 1941.

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