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Zinc citrate

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Name

Zinc citrate

EINECS 208-901-2
CAS No. 546-46-3 Density N/A
PSA 216.72000 LogP -3.09570
Solubility slightly soluble H2O; soluble dilute mineral acids and alkali hydroxides [MER06] Melting Point 334oC
Formula Zn3(C6H5O7)2 Boiling Point 309.6 °C at 760 mmHg
Molecular Weight 574.37 Flash Point 155.2 °C
Transport Information N/A Appearance off-yellow liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 546-46-3 (Zinc citrate) Hazard Symbols N/A
Synonyms

Citricacid, zinc salt (2:3) (8CI);Zinc citrate (Zn3(C6H5O7)2) (7CI);

 

Zinc citrate Consensus Reports

Reported in EPA TSCA Inventory.

Zinc citrate 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

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