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| CAS No.: | 5743-26-0 |
|---|---|
| Name: | Calcium acetate monohydrate |
| Molecular Structure: | |
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|
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| Formula: | C4H6CaO4.H2O |
| Molecular Weight: | 176.18 |
| Synonyms: | Calciumacetate monohydrate;Calcium diacetate monohydrate; |
| EINECS: | 200-540-9 |
| Density: | 1.5 |
| Melting Point: | °Cd ec.) |
| Boiling Point: | 117.1 °C at 760 mmHg |
| Flash Point: | 40 °C |
| Solubility: | soluble in water |
| Appearance: | white crystals or powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 89.49000 |
| LogP: | -2.55190 |
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Specification
The Calcium acetate monohydrate with its cas register number is 5743-26-0. It also can be called as and the IUPAC Name about this chemical is calcium diacetate hydrate. It belongs to the following product categories, such as ACS GradeSynthetic Reagents, Essential Chemicals, Inorganic Salts, Routine Reagents and so on.
Physical properties about Calcium acetate monohydrate 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: 37.3Å2; (11)Enthalpy of Vaporization: 23.7 kJ/mol; (12)Vapour Pressure: 13.9 mmHg at 25°C.
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)Canonical SMILES: CC(=O)[O-].CC(=O)[O-].O.[Ca+2]
(2)InChI: InChI=1S/2C2H4O2.Ca.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2
(3)InChIKey: XQKKWWCELHKGKB-UHFFFAOYSA-L
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 4280mg/kg (4280mg/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. |