Propane-1, 2-diol alginate

Relevant Data

Food Additives Approved in the United States

PROPYLENE GLYCOL ALGINATE [show][hide]

Mainterm PROPYLENE GLYCOL ALGINATE

Doc Type ASP

CAS number 9005-37-2

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Food Additives Approved by WHO:

PROPYLENE GLYCOL ALGINATE [show]

General Information

Chemical name	Propane-1, 2-diol alginate
E No.	E 405
INS.	405
CAS number	9005-37-2
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 = 3000 mg/kg
Edible ices (3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 3000 mg/kg , only water-based edible ices
Fruit and vegetable preparations excluding compote (4.2.4.1)(legislation:1129/2011, applicable as from 01/06/2013) Chewing gum (5.3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 5000 mg/kg
Other confectionery including breath refreshening microsweets (5.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 1500 mg/kg , only sugar confectionery
Decorations, coatings and fillings, except fruit-based fillings covered by category 4.2.4 (5.4)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 1500 mg/kg ML = 5000 mg/kg , only fillings, toppings and coatings for fine bakery wares and desserts
Fine bakery wares (7.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 2000 mg/kg
Sauces (12.6)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 8000 mg/kg
Dietary foods for infants for special medical purposes and special formulae for infants (13.1.5.1)(legislation:1129/2011, applicable as from 01/06/2013) Dietary foods for babies and young children for special medical purposes as defined in Directive 1999/21/EC (13.1.5.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 200 mg/kg , From 12 months onwards in specialised diets intended for young children who have cow's milk intolerance or inborn errors of metabolism
Dietary foods for special medical purposes defined in Directive 1999/21/EC (excluding products from food category 13.1.5) (13.2)(legislation:1129/2011, applicable as from 01/06/2013) Dietary foods for weight control diets intended to replace total daily food intake or an individual meal (the whole or part of the total daily diet) (13.3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 1200 mg/kg
Flavoured drinks (14.1.4)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 300 mg/l
Beer and malt beverages (14.2.1)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 100 mg/l
Cider and perry (14.2.3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 100 mg/l , excluding cidre bouchÃ©
Spirit drinks as defined in Regulation (EC) No 110/2008 (14.2.6)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 10000 mg/l , only emulsified liqueurs
Potato-, cereal-, flour- or starch-based snacks (15.1)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 3000 mg/kg , only cereal- and potato-based snacks
Food supplements supplied in a solid form including capsules and tablets and similar forms, excluding chewable forms (17.1)(legislation:1129/2011, applicable as from 01/06/2013) Food supplements supplied in a syrup-type or chewable form (17.3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 1000 mg/kg
Food supplements supplied in a liquid form (17.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 1000 mg/l
Other alcoholic drinks including mixtures of alcoholic drinks with non-alcoholic drinks and spirits with less than 15 % of alcohol (14.2.8)(legislation:1148/2012, applicable as from 25/12/2012)	ML = 100 , only in fermented grape must-based drinks

From webgate.ec.europa.eu

Computed Descriptors

2D Structure
CID	8984
IUPAC Name	dipotassium;(2R,3R)-2,3-dihydroxybutanedioate
InChI	InChI=1S/C4H6O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1
InChI Key	AVTYONGGKAJVTE-OLXYHTOASA-L
Canonical SMILES	C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[K+]
Molecular Formula	C4H4O6K2·½H2O
Wikipedia	potassium tartrate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	226.267
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Complexity	123.0
CACTVS Substructure Key Fingerprint	A A A D c Y B g O 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 A A 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 g g A I A C A A A A 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 B E B Q A A A A A Q A A F I A A B A A B D 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 = =
Topological Polar Surface Area	121.0
Monoisotopic Mass	225.928
Exact Mass	225.928
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	12
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	Hydroxy acids and derivatives
Subclass	Beta hydroxy acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta hydroxy acids and derivatives
Alternative Parents	Organic potassium salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Short-chain hydroxy acids and derivatives Carboxylic acids Secondary alcohols 1,2-diols Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

From ClassyFire