Record Information
Version1.0
Creation date2010-04-08 22:04:42 UTC
Update date2018-05-29 00:30:20 UTC
Primary IDFDB000748
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameEdetate disodium
DescriptionPreservative and sequestrant in foods Ethylenediaminetetraacetic acid, widely abbreviated as EDTA, is a polyamino carboxylic acid and a colourless, water-soluble solid. Its conjugate base is named ethylenediaminetetraacetate. It is widely used to dissolve limescale. Its usefulness arises because of its role as a hexadentate ("six-toothed") ligand and chelating agent, i.e. its ability to "sequester" metal ions such as Ca2+ and Fe3+. After being bound by EDTA, metal ions remain in solution but exhibit diminished reactivity. EDTA is produced as several salts, notably disodium EDTA and calcium disodium EDTA.
CAS Number6381-92-6
Structure
Thumb
Synonyms
SynonymSource
Disodium (ethylenedinitrilo)tetraacetate dihydrateChEBI
Disodium edetate dihydrateChEBI
Disodium edta dihydrateChEBI
Edetate disodiumChEBI
EDTA disodium dihydrateChEBI
EndrateChEBI
Ethylenediaminetetraacetic acid disodium salt dihydrateChEBI
Na2h2Edta.2h2OChEBI
Disodium (ethylenedinitrilo)tetraacetic acid dihydric acidGenerator
Disodium edetic acid hydric acidGenerator
Disodium edetic acid dihydric acidGenerator
Disodium edta dihydric acidGenerator
Edetic acid disodiumGenerator
EDTA disodium dihydric acidGenerator
Endric acidGenerator
Ethylenediaminetetraacetate disodium salt dihydrateGenerator
Ethylenediaminetetraacetic acid disodium salt dihydric acidGenerator
Acetic acid, (ethylenedinitrilo)tetra-, disodium salt, dihydrate (8CI)manual
Disodium dihydrogen ethylenediaminetetraacetate dihydratemanual
Disodium EDTA dihydratemanual
Disodium ethylenediaminetetraacetate dihydratemanual
Edta, disodium salt dihydratebiospider
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt, dihydrate (9CI)manual
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt, hydrate (1:2:2)manual
Predicted Properties
PropertyValueSource
logP-5.2ChemAxon
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)8.13ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area161.34 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity84.02 m³·mol⁻¹ChemAxon
Polarizability25.43 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC10H18N2Na2O10
IUPAC namedisodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate
InChI IdentifierInChI=1S/C10H16N2O8.2Na.2H2O/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);;;2*1H2/q;2*+1;;/p-2
InChI KeyOVBJJZOQPCKUOR-UHFFFAOYSA-L
Isomeric SMILESO.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
Average Molecular Weight372.2369
Monoisotopic Molecular Weight372.075684156
Classification
DescriptionThis compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassTetracarboxylic acids and derivatives
Direct ParentTetracarboxylic acids and derivatives
Alternative Parents
Substituents
  • Tetracarboxylic acid or derivatives
  • Alpha-amino acid or derivatives
  • Alpha-amino acid
  • Tertiary aliphatic amine
  • Tertiary amine
  • Carboxylic acid salt
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic alkali metal salt
  • Organic sodium salt
  • Organic salt
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Amine
  • Organic zwitterion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 35.72%; H 4.20%; N 8.33%; Na 13.68%; O 38.07%DFC
Melting PointMp 252 dec. (dihydrate)DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID636371
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDBGT54-I:BGT55-J
EAFUS ID1178
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1246321
SuperScent IDNot Available
Wikipedia IDEthylenediaminetetraacetic acid
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference