Green S

Relevant Data

Food Additives Approved by WHO:

General Information

Chemical nameGreen S
E No.E 142
INS.142
CAS number3087-16-9
GroupNo
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
  • Canned or bottled fruit and vegetables (4.2.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 10 mg/kg , only processed mushy and garden peas (canned)
  • Jam, jellies and marmalades and sweetened chestnut puree as defined by Directive 2001/113/EC (4.2.5.2)(legislation:232/2012, applicable as from 01/06/2013)
  • ML = 100 mg/kg , except chestnut puree
  • 31 Maximum individually or in combination with E 120, E 142, E 160d and E 161b
  • Other similar fruit or vegetable spreads (4.2.5.3)(legislation:232/2012, applicable as from 01/06/2013)
  • ML = 100 mg/kg , except crème de pruneaux
  • 31 Maximum individually or in combination with E 120, E 142, E 160d and E 161b
  • 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

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID91525
IUPAC Namesodium;4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-hydroxynaphthalene-2,7-disulfonate
InChIInChI=1S/C27H26N2O7S2.Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;/h5-16H,1-4H3,(H2,31,32,33,34,35,36);/q;+1/p-1
InChI KeyWDPIZEKLJKBSOZ-UHFFFAOYSA-M
Canonical SMILESCN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
Molecular FormulaC27H25N2NaO7S2
Wikipediaacid green 50

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight576.614
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Complexity1140.0
CACTVS Substructure Key Fingerprint A A A D c e B 7 O C 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 A C A A A D A y B 2 A Q y x 8 M A A g K g A y R i R H D C A E A h I g A I i B o c b J g I J i L C k Z O E c A h k w B F I 2 A e Q w P A O u A A D g A A Y I A B w A A c A A D B A A A A A A A A A A A = =
Topological Polar Surface Area158.0
Monoisotopic Mass576.1
Exact Mass576.1
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count39
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem

Taxonomic Classification

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassStilbenes
SubclassSulfonated stilbenes
Intermediate Tree NodesNot available
Direct ParentSulfonated stilbenes
Alternative Parents
Molecular FrameworkAromatic homopolycyclic compounds
SubstituentsSulfonated stilbene - Naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 2-naphthol - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Azomethine - Secondary ketimine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic sodium salt - Organic zwitterion - Organic salt - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings.

From ClassyFire