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| CAS No.: | 62-54-4 |
|---|---|
| Name: | Acetic acid, calciumsalt (2:1) |
| Article Data: | 57 |
| Cas Database | |
| Molecular Structure: | |
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| 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
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | N/A |
| PSA: | 52.60000 |
| LogP: | 0.02760 |
| Conditions | Yield |
|---|---|
| With calcium carbonate In water | 100% |
| With calcium hydroxide |
| 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% |
| Conditions | Yield |
|---|---|
| In acetic anhydride H2O free;; | 59% |
| In acetic anhydride H2O free;; | 59% |
| Conditions | Yield |
|---|---|
| With calcium(II) nitrate |
| Conditions | Yield |
|---|---|
| at 250℃; bei der Behandlung mit Wasser; |
| 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;; |
| 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.;; |
| 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;; |
| Conditions | Yield |
|---|---|
| In water byproducts: C2H2; |
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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. |
