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Calcium acetate monohydrate

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Name

Calcium acetate monohydrate

EINECS 200-540-9
CAS No. 5743-26-0 Density 1.5
PSA 89.49000 LogP -2.55190
Solubility soluble in water Melting Point °Cd ec.)
Formula C4H6CaO4.H2O Boiling Point 117.1 °C at 760 mmHg
Molecular Weight 176.18 Flash Point 40 °C
Transport Information N/A Appearance white crystals or powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5743-26-0 (Calcium acetate monohydrate) Hazard Symbols IrritantXi
Synonyms

Calciumacetate monohydrate;Calcium diacetate monohydrate;

 

Calcium acetate monohydrate 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.

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