Calcium disodium ethylene diamine tetra-acetate (Calcium disodium EDTA)

Relevant Data

Food Additives Approved by WHO:

CALCIUM DISODIUM ETHYLENEDIAMINETETRAACETATE [show]

General Information

Chemical name	Calcium disodium ethylene diamine tetra-acetate (Calcium disodium EDTA)
E No.	E 385
INS.	385
CAS number	662-33-9
Group	No

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):

category(ies)	Individual restriction(s)/exception(s)	footnote
Other fat and oil emulsions including spreads as defined by Council Regulation (EC) No 1234/2007 and liquid emulsions (2.2.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 100 mg/kg , only spreadable fats as defined in Article 115 and Annex XV of Regulation (EC) No 1234/2007, having a fat content of 41 % or less
Canned or bottled fruit and vegetables (4.2.3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 250 mg/kg , only pulses, legumes, mushrooms and artichokes
Heat-treated processed meat (8.3.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 250 mg/kg , only libamáj, libamáj egészben, libamáj tömbben
Unprocessed molluscs and crustaceans (9.1.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 75 mg/kg , only frozen and deep-frozen crustaceans
Processed fish and fisheries products including molluscs and crustaceans (9.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 75 mg/kg , only canned and bottled fish, crustaceans and molluscs
Sauces (12.6)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 75 mg/kg , only emulsified sauces
There are no applications for this additive

From webgate.ec.europa.eu

Computed Descriptors

2D Structure
CID	102601741
IUPAC Name	calcium;(4S)-4-amino-5-hydroxy-5-oxopentanoate
InChI	InChI=1S/2C5H9NO4.Ca/c26-3(5(9)10)1-2-4(7)8;/h23H,1-2,6H2,(H,7,8)(H,9,10);/q;;+2/p-2/t2*3-;/m00./s1
InChI Key	UMVAYAXXQSFULN-QHTZZOMLSA-L
Canonical SMILES	C(CC(=O)[O-])C(C(=O)O)N.C(CC(=O)[O-])C(C(=O)O)N.[Ca+2]
Molecular Formula	C10H16CaN2O8

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	332.322
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Complexity	329.0
CACTVS Substructure Key Fingerprint	A A A D c e B z P A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H g A Q C A A A C C j B g A Q A C A B A A g A I A A C Q C A A A A A A A A A A A A I G A A A A C A B I A g A A A Q A A E E A A A A A C s J g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	207.0
Monoisotopic Mass	332.053
Exact Mass	332.053
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	21
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Glutamic acid and derivatives
Alternative Parents	Amino acids Quaternary ammonium salts Organic zwitterions Carboxylic acids Monoalkylamines L-alpha-amino acids Hydrocarbon derivatives Amino fatty acids Organic oxides Dicarboxylic acids and derivatives Carbonyl compounds Organic calcium salts Carboxylic acid salts
Molecular Framework	Not available
Substituents	Glutamic acid or derivatives - Alpha-amino acid - L-alpha-amino acid - Amino fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Quaternary ammonium salt - Carboxylic acid salt - Amino acid - Organic calcium salt - Carboxylic acid - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic zwitterion - Organic salt - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

From ClassyFire