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| CAS No.: | 546-46-3 |
|---|---|
| Name: | Zinc citrate |
| Molecular Structure: | |
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| Formula: | Zn3(C6H5O7)2 |
| Molecular Weight: | 574.37 |
| Synonyms: | Citricacid, zinc salt (2:3) (8CI);Zinc citrate (Zn3(C6H5O7)2) (7CI); |
| EINECS: | 208-901-2 |
| Melting Point: | 334oC |
| Boiling Point: | 309.6 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| Solubility: | slightly soluble H2O; soluble dilute mineral acids and alkali hydroxides [MER06] |
| Appearance: | off-yellow liquid |
| PSA: | 216.72000 |
| LogP: | -3.09570 |
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Specification
The Zinc citrate is an organic compound with the formula Zn3(C6H5O7)2. The IUPAC name of this chemical is trizinc 2-hydroxypropane-1,2,3-tricarboxylate. With the CAS registry number 546-46-3, it is also named as 1,2,3-propanetricarboxylic acid, 2-hydroxy-, zinc salt (2:3). The product's classification code is Reproductive Effect. Besides, it is mainly used as food additives and food zinc enhancer.
Physical properties about Zinc citrate are: (1)ACD/LogP: -1.72; (2)ACD/LogD (pH 5.5): -6.53; (3)ACD/LogD (pH 7.4): -7.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 121.13 Å2; (12)Flash Point: 155.2 °C; (13)Enthalpy of Vaporization: 63.82 kJ/mol; (14)Boiling Point: 309.6 °C at 760 mmHg; (15)Vapour Pressure: 5.73E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by citric acid and zinc oxide. This reaction will need reagent ethanol. The yield is about 96.2%.
You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[Zn+2].[Zn+2].O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-].[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O
(2)InChI: InChI=1/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
(3)InChIKey: WGIWBXUNRXCYRA-CYFPFDDLAZ
(4)Std. InChI: InChI=1S/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
(5)Std. InChIKey: WGIWBXUNRXCYRA-UHFFFAOYSA-H