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| CAS No.: | 140-99-8 |
|---|---|
| Name: | CALCIUM SUCCINATE, MONOHYDRATE |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C4H6CaO4 |
| Molecular Weight: | 274.241 |
| Synonyms: | Succinicacid, calcium salt (1:1) (8CI);Artume;Butanedioic acid,calcium salt (1:1); |
| EINECS: | 205-445-6 |
| Boiling Point: | 236.1 °C at 760 mmHg |
| Flash Point: | 110.9 °C |
| Solubility: | 1 M HCl: 100 mg/mL, clear to hazy |
| Appearance: | Powder, Flakes, Granular |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 61.83000 |
| LogP: | -0.28270 |
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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