Record Information
Version1.0
Creation date2010-04-08 22:11:51 UTC
Update date2018-05-29 01:19:02 UTC
Primary IDFDB015445
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDisodium ethylenediaminetetraacetate
DescriptionSequestrant, preservative and discolouration inhibitor for 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 Number139-33-3
Structure
Thumb
Synonyms
SynonymSource
(ethylenedinitrilo)Tetraacetic acid disodium saltChEBI
Disodium edetateChEBI
Disodium edetate (anh.)ChEBI
Disodium edetate (anhydrous)ChEBI
Disodium edtaChEBI
Disodium edta (anh.)ChEBI
Disodium edta (anhydrous)ChEBI
Edetate disodiumChEBI
Edetate disodium (anh.)ChEBI
Edetate disodium (anhydrous)ChEBI
Edetate disodium anhydrousChEBI
EDTA disodiumChEBI
EDTA disodium (anh.)ChEBI
EDTA disodium (anhydrous)ChEBI
EDTA disodium salt (anh.)ChEBI
Ethylenebis(iminodiacetic acid) disoidum saltChEBI
Ethylenediaminetetraacetic acid disodium saltChEBI
N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine], disodium saltChEBI
Na2-edtaChEBI
Na2h2EdtaChEBI
(ethylenedinitrilo)Tetraacetate disodium saltGenerator
Disodium ethylenediaminetetraacetic acidGenerator
Disodium edetic acidGenerator
Disodium edetic acid (anh.)Generator
Disodium edetic acid (anhydrous)Generator
Edetic acid disodiumGenerator
Edetic acid disodium (anh.)Generator
Edetic acid disodium (anhydrous)Generator
Edetic acid disodium anhydrousGenerator
Ethylenebis(iminodiacetate) disoidum saltGenerator
Ethylenediaminetetraacetate disodium saltGenerator
Acid, ethylenedinitrilotetraaceticMeSH
Calcitetracemate, disodiumMeSH
Chelaton 3MeSH
Disodium ethylene dinitrilotetraacetateMeSH
Edetic acidMeSH
Edetic acid, dipotassium saltMeSH
Edetic acid, disodium salt, dihydrateMeSH
Edetic acid, magnesium saltMeSH
Edetic acid, sodium saltMeSH
Ethylene dinitrilotetraacetate, disodiumMeSH
Potassium edtaMeSH
Stannous edtaMeSH
Tetacine, calciumMeSH
VersenateMeSH
Versenate, calcium disodiumMeSH
Acid, ethylenediaminetetraaceticMeSH
Calcium disodium edetateMeSH
Chromium edtaMeSH
CoprinMeSH
Dicobalt edtaMeSH
Dinitrilotetraacetate, disodium ethyleneMeSH
Disodium versenate, calciumMeSH
Distannous edtaMeSH
EDTAMeSH
EDTA, chromiumMeSH
EDTA, dicobaltMeSH
EDTA, galliumMeSH
EDTA, magnesium disodiumMeSH
EDTA, potassiumMeSH
EDTA, stannousMeSH
Edetic acid, potassium saltMeSH
Ethylene dinitrilotetraacetateMeSH
Gallium edtaMeSH
TetracemateMeSH
VerseneMeSH
Calcium disodium versenateMeSH
Calcium tetacineMeSH
Copper edtaMeSH
Disodium calcitetracemateMeSH
EDTA, copperMeSH
EDTA, disodiumMeSH
EDTA, distannousMeSH
EdathamilMeSH
Edetate, calcium disodiumMeSH
EdetatesMeSH
Edetic acid, calcium saltMeSH
Edetic acid, disodium, magnesium saltMeSH
Edetic acid, monopotassium saltMeSH
Ethylenediaminetetraacetic acidMeSH
Ethylenedinitrilotetraacetic acidMeSH
Magnesium disodium edtaMeSH
N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycine)MeSH
Acid, edeticMeSH
Dinitrilotetraacetate, ethyleneMeSH
Edetate disodium calciumMeSH
Edetic acid, calcium, sodium saltMeSH
Edetic acid, chromium saltMeSH
Edetic acid, disodium saltMeSH
Edetic acid, disodium, monopotassium saltMeSH
Edetic acid, monosodium saltMeSH
(Ethylenedinitrilo)tetraacetic acid, disodium salt, 8CIdb_source
Acetic acid, (ethylenedinitrilo)tetra-, disodium saltbiospider
Chelaplex IIIbiospider
Chelaton IIIbiospider
Chelest 200biospider
Chelest bbiospider
Clewat nbiospider
Complexon IIIbiospider
Disodium (ethylenedinitrilo)tetraacetic acidbiospider
Disodium diacid ethylenediaminetetraacetatebiospider
Disodium dihydrogen ethylenediaminetetraacetatebiospider
Disodium dihydrogen ethylenediaminetetracetatebiospider
Disodium dihydrogen(ethylenedinitrilo)tetraacetatebiospider
Disodium edathamilbiospider
Disodium ethylenediamine-n,n,n',n'-tetraacetatebiospider
Disodium N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycine)biospider
Disodium salt of edtabiospider
Disodium sequestrenebiospider
Disodium tetracematebiospider
Disodium versenatebiospider
Disodium versenebiospider
Dotite 2NAbiospider
Edathamil disodiumbiospider
Edetic acid disodium saltbiospider
Edta disodiumbiospider
Edta disodium saltbiospider
Endrate disodiumbiospider
Ethylene diamine tetraacetic acid, disodium saltbiospider
Ethylenebis(iminodiacetic acid) disodium saltbiospider
Ethylenediaminetetraacetate, disodium saltbiospider
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt (1:2)manual
Komplexon IIIbiospider
Mavacid ED 4biospider
Metaquest bbiospider
N,N'-1,2-Ethanediylbis(N-carboxymethyl)glycine disodium salt, 9CIdb_source
Selekton B2biospider
Sequestrene Na2biospider
Sequestrene sodium 2biospider
Sodium ethylenediaminetetraacetatebiospider
Sodium versenatebiospider
Tetracemate disodiumbiospider
Titriplex IIIbiospider
Trilon BDbiospider
Triplex IIIbiospider
Veresene disodium saltbiospider
Versene Na2biospider
Versonol 120biospider
Zonon dbiospider
Predicted Properties
PropertyValueSource
Water Solubility72 g/LALOGPS
logP-1ALOGPS
logP-5.2ChemAxon
logS-0.67ALOGPS
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 FormulaC10H14N2Na2O8
IUPAC namedisodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate
InChI IdentifierInChI=1S/C10H16N2O8.2Na/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*+1/p-2
InChI KeyZGTMUACCHSMWAC-UHFFFAOYSA-L
Isomeric SMILES[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
Average Molecular Weight336.2063
Monoisotopic Molecular Weight336.054554784
Classification
DescriptionThis compound belongs to the class of chemical entities known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassCarboxylic acids and derivatives
Direct ParentTetracarboxylic acids and derivatives
Alternative Parents
Substituents
  • Tetracarboxylic acid or derivatives
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Amino acid or derivatives
  • Carboxylic acid salt
  • Amino acid
  • Tertiary amine
  • Tertiary aliphatic amine
  • Carboxylic acid
  • Organic alkali metal salt
  • Organic sodium salt
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic zwitterion
  • Organic salt
  • 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 Point237-245 °C (dec.)
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
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot AvailableView in JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID8759
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKCC41-O:KCC41-O
EAFUS ID1092
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1131691
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