Product Name

  • Name

    FERROUS GLUCONATE DIHYDRATE

  • EINECS 206-076-3
  • CAS No. 22830-45-1
  • Article Data1
  • CAS DataBase
  • 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 482.176
  • Flash Point 375.2 °C
  • Transport Information
  • Appearance Pale yellow gray or green yellow particles or powder
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 22830-45-1 (FERROUS GLUCONATE DIHYDRATE)
  • Hazard Symbols
  • Synonyms 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);
  • PSA 301.02000
  • LogP -9.78670

Synthetic route

water
7732-18-5

water

barium gluconate
22561-74-6

barium gluconate

iron(II) sulfate

iron(II) sulfate

ferrous gluconate dihydrate
22830-45-1

ferrous gluconate dihydrate

Conditions
ConditionsYield
In water (N2); Fe compd. and Ba compd. were dissolved in H2O at 60°C undervigorous stirring; filtered; washed (distd. H2O); dried (vac.); elem. anal.;
...Expand
ferrous gluconate dihydrate
22830-45-1

ferrous gluconate dihydrate

iron(II) oxide
1345-25-1

iron(II) oxide

Conditions
ConditionsYield
In neat (no solvent, solid phase) gluconate was isothermally heated at 200°C for 2 h under dynamic N2;
ferrous gluconate dihydrate
22830-45-1

ferrous gluconate dihydrate

iron(II,III) oxide

iron(II,III) oxide

Conditions
ConditionsYield
In neat (no solvent, solid phase) gluconate was isothermally heated at 500°C for 2 h under dynamic N2;
ferrous gluconate dihydrate
22830-45-1

ferrous gluconate dihydrate

iron(III) oxide

iron(III) oxide

Conditions
ConditionsYield
With H2O In neat (no solvent, solid phase) gluconate was isothermally heated at 360°C for 1 h under dynamic air with water vapour;
ferrous gluconate dihydrate
22830-45-1

ferrous gluconate dihydrate

iron(III) oxide

iron(III) oxide

Conditions
ConditionsYield
In neat (no solvent, solid phase) gluconate was isothermally heated at 421°C;
ferrous gluconate dihydrate
22830-45-1

ferrous gluconate dihydrate

iron(II) gluconate

iron(II) gluconate

Conditions
ConditionsYield
In neat (no solvent, solid phase) gluconate was isothermally heated at 160°C under static air atm;

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
(3)Std. InChIKey: OKGNXSFAYMSVNN-SYAJEJNSSA-L

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)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 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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