Azorubine, Carmoisine

Relevant Data

Food Additives Approved by WHO:

AZORUBINE [show]

General Information

Chemical name	Azorubine, Carmoisine
E No.	E 122
INS.	122
CAS number	3567-69-9
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
Processed cheese (1.7.5)(legislation:232/2012, applicable as from 01/06/2013)	ML = 100 mg/kg , only flavoured processed cheese	33 Maximum individually or for the combination of E 100, E 102, E 120, E 122, E 160e and E 161b
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
Processed fish and fisheries products including molluscs and crustaceans (9.2)(legislation:232/2012, applicable as from 01/06/2013)	ML = 100 mg/kg , only fish paste and crustacean paste ML = 250 mg/kg , only precooked crustacean	35 Maximum individually or for the combination of E 100, E 102, E 120, E 122, E 142, E 151, E 160e, E 161b 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 americano, bitter vino	26 In americano E 100, E 101, E 102, E 104, E 120, E 122, E 123, E 124 are authorised individually or in combination 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	6321394
IUPAC Name	disodium;(3E)-4-oxo-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate
InChI	InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-17+;;
InChI Key	OJNIRNOPCQQNRY-JZFXEGLSSA-L
Canonical SMILES	C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+]
Molecular Formula	C20H12N2Na2O7S2
Wikipedia	Carmoisine

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	502.423
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Complexity	965.0
CACTVS Substructure Key Fingerprint	A A A D c c B 7 O 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 M E A A A A A A A D B V A A A H g Q Y A A A A D A y B 2 A A w w c B i A A K o A 6 R y Q H D S B E A k A g A Y i B k w Z N g I I D K A l Z G A I Q B g m A A I y Y c Y i I C O g A Q A w A A W A A A A C A G A A C w A A A A A A A A A A A = =
Topological Polar Surface Area	173.0
Monoisotopic Mass	501.988
Exact Mass	501.988
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	33
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	Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes	Naphthalene sulfonates
Direct Parent	1-naphthalene sulfonates
Alternative Parents	Sulfonyls Organic cations Hydrocarbon derivatives Aryl ketones Organic oxides 1-naphthalene sulfonic acids and derivatives Hydrazones 1-sulfo,2-unsubstituted aromatic compounds Organosulfonic acids Organic sodium salts Phenylhydrazines
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Aryl ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Hydrazone - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic cation - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

From ClassyFire