Allura Red AC

Relevant Data

Food Additives Approved in the United States

FD&C; RED NO. 40 [show][hide]

Mainterm FD&C; RED NO. 40

Doc Type ASP

CAS number 25956-17-6

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Food Additives Approved by WHO:

ALLURA RED AC [show]

General Information

Chemical name	Allura Red AC
E No.	E 129
INS.	129
CAS number	25956-17-6
Group	No
Component of the group	Group III, Food colours with combined maximum limit (Group III)

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
Dried fruit and vegetables (4.2.1)(legislation:232/2012, applicable as from 01/06/2013) Fruit and vegetables in vinegar, oil, or brine (4.2.2)(legislation:232/2012, applicable as from 01/06/2013) Canned or bottled fruit and vegetables (4.2.3)(legislation:232/2012, applicable as from 01/06/2013) Fruit and vegetable preparations excluding compote (4.2.4.1)(legislation:232/2012, applicable as from 01/06/2013)	ML = 200 mg/kg , only preserves of red fruit	34 Maximum individually or for the combination of E 120, E 122, E 129, E 131 and E 133
Fresh meat, excluding meat preparations as defined by Regulation (EC) No 853/2004 (8.1)(legislation:1129/2011, applicable as from 01/06/2013)	quantum satis , only for the purpose of health marking
Meat preparations as defined by Regulation (EC) No 853/2004 (8.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 25 mg/kg , only breakfast sausages with a minimum cereal content of 6 % and burger meat with a minimum vegetable and/or cereal content of 4 % mixed within the meat; In these products, the meat is minced in such a way so that the muscle and fat tissue are completely dispersed, so that fibre makes an emulsion with the fat, giving those products their typical appearance
Heat-treated processed meat (8.3.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 25 mg/kg , only luncheon meat
Processed fish and fisheries products including molluscs and crustaceans (9.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 250 mg/kg , only precooked crustacean	36 Maximum individually or for the combination of E 100, 102, E 120, E 122, E 129, E 142, E 151, E 160e, E 161b
Aromatised wines (14.2.7.1)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 100 mg/l , only bitter vino	27 In bitter vino E 100, E 101, E 102, E 104, E 110, E 120, E 122, E 123, E 124, E 129 are authorised individually or in combination
Aromatised wine-based drinks (14.2.7.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 100 mg/l , only bitter soda	28 In bitter soda E 100, E 101, E 102, E 104, E 110, E 120, E 122, E 123, E 124, E 129 are authorised individually or in combination

From webgate.ec.europa.eu

Computed Descriptors

2D Structure
CID	5360805
IUPAC Name	disodium;(5Z)-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate
InChI	InChI=1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-18-;;
InChI Key	POXPUHKJGLHZEM-DJOSVPKASA-L
Canonical SMILES	CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]
Molecular Formula	C18H14N2Na2O8S2
Wikipedia	Allura Red AC

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	496.416
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Complexity	906.0
CACTVS Substructure Key Fingerprint	A A A D c c B 7 P D B g A A A A A A A A A A A A A A A A A A A A A A A w Y I A A A A A A A A C B Q A A A H g Q Y A A A A D A y B 2 A I y x 4 B i B A K o A 6 R y Q H D S D E A g I g A Y i B k n b N g O J r K E t Z u B M C B k 2 B E I 6 Y e Y y I C O s A Q A x A A U E A B g C A G I A C g g A A A A A A A A A A = =
Topological Polar Surface Area	182.0
Monoisotopic Mass	495.999
Exact Mass	495.999
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	32
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Alkyl aryl ethers Methoxybenzenes Phenoxy compounds Sulfonyls Methoxyanilines Organic cations Hydrocarbon derivatives Toluenes Organic oxides Hydrazones Anisoles 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Organosulfonic acids Cyclic ketones Organic sodium salts Phenylhydrazines
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Benzenesulfonate - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Methoxybenzene - Phenoxy compound - Phenol ether - Phenylhydrazine - Anisole - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Ketone - Cyclic ketone - Organic alkali metal salt - Hydrazone - Ether - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

From ClassyFire