Dicalcium EDTA

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Basic information

CAS: 19709-85-4
Standard SMILES: O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Ca+2]
InChIKey: ACYGYJFTZSAZKR-UHFFFAOYSA-J
Molecular formula: C10H12Ca2N2O8
Average molar mass: 368.37 g/mol
Monoisotopic mass: 367.984547

Names & identifiers

Preferred name: Dicalcium EDTA
IUPAC: dicalcium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
English name: Ethylenediaminetetraacetic acid dicalcium salt
Molecular formula: C10H12Ca2N2O8
Molecular weight: 368.37

Names & synonyms

19709-85-4Dicalcium ethylenediaminetetraacetateEINECS 243-245-0ETHYLENEDIAMINETETRAACETIC ACID, DICALCIUM SALTCalciate(2-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, calcium (1:1), (OC-6-21)-Calciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kappaO)methyl]glycinato-kappaN,kappaO]](4-)]-, calcium (1:1), (OC-6-21)-Calciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, calcium (1:1), (OC-6-21)-dicalcium EDTARefChem:586589Calciate(2), N,N'1,2ethanediylbisN(carboxymethyl)glycinate243-245-0Calciate(2), ((N,N'1,2ethanediylbis(N((carboxykappaO)methyl)glycinatokappaN,kappaO))(4)), calcium (1:1), (OC621)

Show more names

CALCIUM EDTAEDTA.Ca2EDTA DICALCIUM SALTon,on’]-,calcium(1:1),(oc-6-21)-oETHYLENEDIAMINETETRAACETIC ACID DICALCIUMETHYLENEBIS(IMINODIACETIC ACID)DICALCIUM SALTETHYLENEDIAMINETETRAACETIC ACID DICALCIUM SAEthylenediaminetetraaceticaciddicalciumsalt94%ETHYLENEDIAMINOTETRAACETIC ACID DICALCIUM SALT

Calcium 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetatedicalcium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetateSCHEMBL5729DTXSID80923187ACYGYJFTZSAZKR-UHFFFAOYSA-JAKOS015911604DB-254803NS00082288

Database identifiers

CAS: 19709-85-4
PubChem CID: 88207
DTXSID: DTXSID80923187
EC Number: 243-245-0
Nikkaji: J136.008F

Properties

Computed structural properties

Topological polar surface area: 167 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 293

Experimental & physicochemical properties

Chemical ClassesMetals -> Organic Acids, Metal Salts

Physical DescriptionSolid; [Acros Organics MSDS]

Physicochemical properties

storage temp.: 2 · 2-8°C, sealed storage, away from moisture
Appearance: White to off-white Solid
EPA Substance Registry System: 2 · Calciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, calcium (1:1), (OC-6-21)- (19709-85-4)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
TSCA: TSCA listed
HS Code: 29224985 · 29224985

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Hazards SummaryAn irritant; [Acros Organics MSDS] See Edetic acid.

Safety data

tsca: TSCA listed
hs_code: 29224985
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCalciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, calcium (1:1), (OC-6-21)-: INACTIVE

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Compound notes

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