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Calcium succinate

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Name

Calcium succinate

EINECS 205-445-6
CAS No. 140-99-8 Density N/A
PSA 61.83000 LogP -0.28270
Solubility 1 M HCl: 100 mg/mL, clear to hazy Melting Point N/A
Formula C4H6CaO4 Boiling Point 236.1 °C at 760 mmHg
Molecular Weight 274.241 Flash Point 110.9 °C
Transport Information N/A Appearance Powder, Flakes, Granular
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 140-99-8 (CALCIUM SUCCINATE, MONOHYDRATE) Hazard Symbols IrritantXi
Synonyms

Succinicacid, calcium salt (1:1) (8CI);Artume;Butanedioic acid,calcium salt (1:1);

Article Data 5

Calcium succinate Specification

Calcium succinate is an organic compound with the formula C4H6CaO4, and its systematic name is the same with the product name. With the CAS registry number 140-99-8, it is also named as Butanedioic acid, calcium salt (1:1). Its EINECS number is 205-445-6. In addition, the molecular weight is 174.17.

Physical properties of Calcium succinate are: (1)ACD/LogP: -0.591; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.15; (4)ACD/LogD (pH 7.4): -5.13; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 74.6 Å2; (13)Flash Point: 110.9 °C; (14)Enthalpy of Vaporization: 52.09 kJ/mol; (15)Boiling Point: 236.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0165 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)CCC([O-])=O
(2)Std. InChI: InChI=1S/C4H6O4.Ca/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2
(3)Std. InChIKey: PBUBJNYXWIDFMU-UHFFFAOYSA-L

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