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Acetic acid, calciumsalt, monohydrate (8CI,9CI) (5743-26-0)

Identification
Name:Acetic acid, calciumsalt, monohydrate (8CI,9CI)
Synonyms:Calciumacetate monohydrate;Calcium diacetate monohydrate;
CAS:5743-26-0
EINECS: 200-540-9
Molecular Formula: C4H6CaO4.H2O
Molecular Weight: 176.18
InChI: InChI=1/2C2H4O2.Ca.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2
Molecular Structure: (C4H6CaO4.H2O) Calciumacetate monohydrate;Calcium diacetate monohydrate;
Properties
Density:g/cm3
Stability:Stable under normal shipping and handling conditions.
Water Solubility:soluble
Solubility:Soluble in water
Appearance:white crystals or powder
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.

Storage Temperature: Keep from contact with oxidizing materials. Store in a cool, dry, well-ventilated area away from incompatible substances.
Usage:A food additive, mainly in candy products.
Safety Data
Hazard Symbols Xi:Irritant