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EDTA calcium disodium

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Name

EDTA calcium disodium

EINECS 200-529-9
CAS No. 62-33-9 Density N/A
PSA 167.00000 LogP -7.41000
Solubility N/A Melting Point N/A
Formula C10H12CaN2Na2O8 Boiling Point 614.2 °C at 760 mmHg
Molecular Weight 374.30 Flash Point 325.2 °C
Transport Information N/A Appearance white powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 62-33-9 (EDTA calcium disodium) Hazard Symbols IrritantXi
Synonyms

Calciate(2-),[(ethylenedinitrilo)tetraacetato]-, disodium (8CI);Calciate(2-),[[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-,disodium, (OC-6-21)-;Calciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, disodium, (OC-6-21)- (9CI);Disodium[(ethylenedinitrilo)tetraacetato]calciate (6CI);(Ethylenedinitrilo)tetraaceticacid calcium disodium salt;Adsorbonac;Calcium disodium (ethylenedinitrilo)tetraacetate;Calciumdisodium EDTA;Calcium disodium Versenate;Calcium disodium ethylenediaminetetraacetate;Calcium sodium EDTA;Calcium sodiumedetate;Calcium titriplex;Disodium calcium edetate;Disodium calcium ethylenediaminetetraacetate;Disodium monocalcium EDTA;EDTAcalcium;EDTA disodium calcium salt;Edathamiol calcium disodium;Edetamine;Edetatecalcium;Edetate calcium disodium;Edetic acid calcium disodium salt;Edtacal;Ethylenediaminetetraacetic acid calcium disodium salt;Glycine,N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, calcium sodium salt (1:1:2);Ledclair;Monocalcium disodium EDTA;Tetacin;Versene CA;

 

EDTA calcium disodium Consensus Reports

CALCIUM DISODIUM ETHYLENEDIAMINE-TETRAACETATE is reported in EPA TSCA Inventory.

EDTA calcium disodium Specification

The EDTA calcium disodium , with cas registry number of 62-33-9, is a kind of white powder. It is stable. It is incompatible with strong oxidizing agents. It has other registry numbers including (1) 100333-49-1 ; (2) 108703-54-4 ; (3) 12002-29-8 ; (4) 12558-50-8 ; (5) 1282-71-9 ; (6) 1288-07-9 ; (7) 19067-42-6 ; (8) 35-00-7 ; (9) 39208-14-5 ; (10) 50322-17-3 ; (11) 5297-15-4 ; (12) 5639-01-0 ; (13) 56532-88-8 ; (14) 57131-51-8 ; (15) 61864-74-2 ; (16) 63042-69-3 ; (17) 68162-45-8 ; (18) 69843-95-4 ; (19) 74011-06-6 ; (20) 7732-93-6. Its systematic name is called calcium sodium 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate (1:2:1) . Its IUPAC is named as calcium disodium 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate . The superlist names about this chemical are known as Calcium disodium ethylenediaminetetraacetate and Disodium calcium EDTA .

Physical properties about this chemical are: (1) ACD/LogP: -0.43 ; (2) # of Rule of 5 Violations: 1 ; (3) ACD/LogD (pH 5.5): -5.49 ; (4) ACD/LogD (pH 7.4): -5.92 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 10 ; (10) #H bond donors: 4 ; (11) #Freely Rotating Bonds: 11 ; (12) Flash Point: 325.2 °C ; (13) Enthalpy of Vaporization: 99.5 kJ/mol ; (14) Boiling Point: 614.2 °C at 760 mmHg ; (15) Vapour Pressure: 1.15E-16 mmHg at 25°C.

Uses of EDTA calcium disodium : this chemical is a kind of Organic-metal salt; Ca (Calcium) Compounds; Metal Compounds; Typical Metal Compounds. It is mainly used as antigushing agent in fermented malt beverages.

When you are using this chemical, please be cautious about it as the following:
This chemical is moderately toxic by intraperitoneal route. Mildly toxic by ingestion and intravenous routes. When heated to decomposition, it emits toxic vapors of NOx. Wear suitable protective clothing when use it. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) InChI: InChI=1/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4;
(2) Smiles: C1[N@@](CC[N@@](CC(=O)O[Ca]OC1=O)CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 12gm/kg (12000mg/kg)   Toxicology and Applied Pharmacology. Vol. 5, Pg. 142, 1963.
mammal (species unspecified) LD50 unreported 3gm/kg (3000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 8(7), Pg. 35, 1964.
mouse LD50 intraperitoneal 4500mg/kg (4500mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 oral 10gm/kg (10000mg/kg)   Drugs in Japan Vol. -, Pg. 188, 1990.
rabbit LD50 intraperitoneal 6gm/kg (6000mg/kg)   Drugs in Japan Vol. -, Pg. 188, 1990.
rabbit LD50 oral 7gm/kg (7000mg/kg)   Toxicology and Applied Pharmacology. Vol. 5, Pg. 142, 1963.
rabbit LDLo intravenous 4gm/kg (4000mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 11, Pg. 321, 1952.
rat LD50 intraperitoneal 3850mg/kg (3850mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 20, 1956.
rat LD50 intravenous 3gm/kg (3000mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 oral 10gm/kg (10000mg/kg)   Toxicology and Applied Pharmacology. Vol. 5, Pg. 142, 1963.

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