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62-54-4

Basic Information
CAS No.: 62-54-4
Name: Calcium acetate
Article Data: 57
Molecular Structure:
Molecular Structure of 62-54-4 (Calcium acetate)
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: IrritantXi
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
ConditionsYield
With calcium carbonate In water100%
With calcium hydroxide

calcium(II) nitrate tetrahydrate

108-24-7

acetic anhydride

62-54-4

calcium acetate

Conditions
ConditionsYield
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
ConditionsYield
In acetic anhydride H2O free;;59%
In acetic anhydride H2O free;;59%
108-24-7

acetic anhydride

62-54-4

calcium acetate

Conditions
ConditionsYield
With calcium(II) nitrate
141-78-6

ethyl acetate

quicklime

quicklime

A

64-17-5

ethanol

B

62-54-4

calcium acetate

Conditions
ConditionsYield
at 250℃; bei der Behandlung mit Wasser;
64-19-7

acetic acid

calcium carbonate

62-54-4

calcium acetate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In water byproducts: C2H2;
7778-54-3

calcium hypochlorite

67-64-1

acetone

A

67-66-3

chloroform

B

62-54-4

calcium acetate

C

calcium hydroxide

Conditions
ConditionsYield
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;;
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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) Effect 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.