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| CAS No.: | 6100-19-2 |
|---|---|
| Name: | Potassium tartrate hemihydrate |
| Molecular Structure: | |
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| Formula: | 2(K2C4H4O6).H2O |
| Molecular Weight: | 470.553 |
| Synonyms: | Butanedioicacid, 2,3-dihydroxy- (2R,3R)-, dipotassium salt, hydrate (2:1) (9CI);Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, dipotassium salt, hydrate (2:1);Tartaric acid, dipotassium salt, hemihydrate (8CI);Dipotassium tartratehemihydrate; |
| EINECS: | 213-067-8 |
| Density: | 1.98 |
| Melting Point: | 155°C -H2O |
| Boiling Point: | 399.3 °C at 760 mmHg |
| Flash Point: | 209.4 °C |
| Solubility: | Soluble in water. |
| Safety: | 22-24/25 |
| PSA: | 129.95000 |
| LogP: | -4.85630 |
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Specification
The Potassium tartrate hemihydrate, with the CAS registry number 6100-19-2 and EINECS registry number 213-067-8, has the systematic name of butanedioic acid, 2,3-dihydroxy-, dipotassium salt, hydrate (2:1). And the molecular formula of the chemical is 2(K2C4H4O6).H2O. While dealing with this chemical, you should be cautious not to breathe dust and avoid to contact with skin and eyes.
The characteristics of this chemical are as followings: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.86; (4)ACD/LogD (pH 7.4): -6.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 93.06 Å2; (13)Flash Point: 209.4 °C; (14)Enthalpy of Vaporization: 75.13 kJ/mol; (15)Boiling Point: 399.3 °C at 760 mmHg; (16)Vapour Pressure: 4.93E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [K+].[K+].[K+].[K+].O=C([O-])C(O)C(O)C([O-])=O.[O-]C(=O)C(O)C(O)C([O-])=O.O
(2)InChI: InChI=1/2C4H6O6.4K.H2O/c2*5-1(3(7)8)2(6)4(9)10;;;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;;;1H2/q;;4*+1;/p-4
(3)InChIKey: FRFCDHONTUJIBX-XBHQNQODAQ