CAS No.22830-45-1,FERROUS GLUCONATE DIHYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22830-45-1
Name:	FERROUS GLUCONATE DIHYDRATE
Article Data:	1

Formula:	C₆H₁₂O₇·1/2 Fe·H₂O
Molecular Weight:	482.176
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);
EINECS:	206-076-3
Density:	1.14
Melting Point:	188 °C (dec.)(lit.)
Boiling Point:	673.6 °C at 760 mmHg
Flash Point:	375.2 °C
Solubility:	1 g per 10 ml in warm water, hardly soluble in alcohol
Appearance:	Pale yellow gray or green yellow particles or powder
Safety:	24/25
PSA:	301.02000
LogP:	-9.78670

Synthetic route

: 7732-18-5
water

: 22561-74-6
barium gluconate

: iron(II) sulfate

: 22830-45-1
ferrous gluconate dihydrate

Conditions

Conditions	Yield
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

: 22830-45-1
ferrous gluconate dihydrate

: 1345-25-1
iron(II) oxide

Conditions

Conditions	Yield
In neat (no solvent, solid phase) gluconate was isothermally heated at 200°C for 2 h under dynamic N2;

: 22830-45-1
ferrous gluconate dihydrate

: iron(II,III) oxide

Conditions

Conditions	Yield
In neat (no solvent, solid phase) gluconate was isothermally heated at 500°C for 2 h under dynamic N2;

: 22830-45-1
ferrous gluconate dihydrate

: iron(III) oxide

Conditions

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

: 22830-45-1
ferrous gluconate dihydrate

: iron(III) oxide

Conditions

Conditions	Yield
In neat (no solvent, solid phase) gluconate was isothermally heated at 421°C;

: 22830-45-1
ferrous gluconate dihydrate

: iron(II) gluconate

Conditions

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

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Standards and Recommendations

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

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.