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Ferrous gluconate dihydrate

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Ferrous gluconate dihydrate

EINECS 206-076-3
CAS No. 22830-45-1 Density 1.14
Solubility 1 g per 10 ml in warm water, hardly soluble in alcohol Melting Point 188 °C (dec.)(lit.)
Formula C6H12O7·1/2 Fe·H2O Boiling Point 673.6 °C at 760 mmHg
Molecular Weight 482.17 Flash Point 375.2 °C
Transport Information Appearance Pale yellow gray or green yellow particles or powder
Safety Risk Codes
Molecular Structure Molecular Structure of 22830-45-1 (D-gluconic acid, iron(2+) salt, hydrate (2:1:1)) Hazard Symbols

Gluconicacid, iron(2+) salt, dihydrate, D- (8CI);Iron(II) gluconate dihydrate;D-Gluconic acid iron(II) salt dihydrate;D-Gluconic acid,iron(2+) salt, dihydrate (9CI);Iron(2+) (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate (1:2:2);


Ferrous gluconate dihydrate Standards and Recommendations

OSHA PEL: TWA 1 mg(Fe)/m3
ACGIH TLV: TWA 1 mg(Fe)/m3

Ferrous gluconate dihydrate Specification

The D-gluconic acid, iron(2+) salt, hydrate (2:1:1), with the CAS registry number 22830-45-1, is also known as Iron(II) gluconate dihydrate. It belongs to the product categories of Biochemistry; Classes of Metal Compounds; Fe (Iron) Compounds; Glucose; Sugar Acids; Sugars; Transition Metal Compounds. Its EINECS number is 206-076-3. This chemical's molecular formula is C6H12O7·1/2 Fe·H2O and molecular weight is 482.17. What's more, its systematic name is iron(2+) (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate (1:2:2). Its classification code is Mutation data. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of D-gluconic acid, iron(2+) salt, hydrate (2:1:1) are: (1)ACD/LogP: -3.18; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 83.45 Å2; (7)Flash Point: 375.2 °C; (8)Enthalpy of Vaporization: 113.2 kJ/mol; (9)Boiling Point: 673.6 °C at 760 mmHg; (10)Vapour Pressure: 4.95E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Fe+2].[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O.O
(2)Std. InChI: InChI=1S/2C6H12O7.Fe.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-;;;/m11.../s1

The toxicity data is as follows: 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2100mg/kg (2100mg/kg)   WHO Food Additives Series. Vol. 8, Pg. 26, 1975.
mouse LD50 intravenous 98mg/kg (98mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)


American Journal of the Medical Sciences. Vol. 230, Pg. 491, 1955.
mouse LD50 oral 3700mg/kg (3700mg/kg)   American Journal of the Medical Sciences. Vol. 230, Pg. 491, 1955.
rabbit LD50 oral 3500mg/kg (3500mg/kg)   WHO Food Additives Series. Vol. 8, Pg. 26, 1975.
rat LD50 oral 4500mg/kg (4500mg/kg)   American Journal of the Medical Sciences. Vol. 230, Pg. 491, 1955.

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