Potassium alginate

Relevant Data

Food Additives Approved in the United States

ALGINATE, POTASSIUM [show][hide]

Mainterm ALGINATE, POTASSIUM

Doc Type ASP

CAS number 9005-36-1

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Food Additives Approved by WHO:

POTASSIUM ALGINATE [show]

General Information

Chemical name	Potassium alginate
E No.	E 402
INS.	402
CAS number	9005-36-1
Group	No
Component of the group	Group I, Additives (Group I) Alginic acid - alginates (E 400 - 404)

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
Unflavoured pasteurised cream (excluding reduced fat creams) (1.6.1)(legislation:1129/2011, applicable as from 01/06/2013)	quantum satis
Meat preparations as defined by Regulation (EC) No 853/2004 (8.2)(legislation:601/2014, applicable as from 25/06/2014)	quantum satis , only preparations in which ingredients have been injected; meat preparations composed of meat parts that have been handled differently: minced, sliced or processed and that are combined together. Except bifteki, soutzoukaki, kebap gyros and souvlaki
Processed cereal-based foods and baby foods for infants and young children as defined by Directive 2006/125/EC (13.1.3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 500 mg/kg , only desserts and puddings	23 E 400, E 401, E 402 and E 404 are authorised individually or in combination

From webgate.ec.europa.eu

Computed Descriptors

2D Structure
CID	91886355
IUPAC Name	dipotassium;(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
InChI	InChI=1S/C12H18O13.2K/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21;;/h1-8,11-17,22H,(H,18,19)(H,20,21);;/q;2*+1/p-2/t1-,2-,3+,4-,5-,6-,7-,8-,11+,12+;;/m0../s1
InChI Key	LAEKMUKVBJSQBM-CAWKZDFGSA-L
Canonical SMILES	C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)[O-])O)O)O)C(=O)[O-])O)O.[K+].[K+]
Molecular Formula	C12H16K2O13

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	446.444
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Complexity	500.0
CACTVS Substructure Key Fingerprint	A A A D c e B w P A A A Y A A A A A A A A A A A A A A A A A A A A A A k S A A A A A A A A A A A A A A A G g A A C A A A C B S w g A M A C A A A B g A I A A C Q C A I A A A A A A A A A A A F A A A A R E B Y A A A Q i Q A A F I A A H A A H K b A x 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	229.0
Monoisotopic Mass	445.987
Exact Mass	445.987
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	27
Defined Atom Stereocenter Count	10
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 oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
Direct Parent	O-glucuronides
Alternative Parents	Oxanes Acetals Hemiacetals Organic cations Dicarboxylic acids and derivatives Carbonyl compounds O-glycosyl compounds Organic potassium salts Pyrans Disaccharides Oxacyclic compounds Secondary alcohols Carboxylic acid salts Beta hydroxy acids and derivatives Hydrocarbon derivatives Organic oxides Polyols Carboxylic acids
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1-o-glucuronide - O-glucuronide - Disaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Pyran - Oxane - Carboxylic acid salt - Hemiacetal - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Polyol - Organic oxide - Carbonyl group - Organic potassium salt - Alcohol - Organic salt - Hydrocarbon derivative - Organic cation - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.

From ClassyFire