PONCEAU 4R
Relevant Data
Food Additives Approved by European Union:
General Information
| Synonyms: | CI FOOD RED 7, COCHINEAL RED A, NEW COCCINE |
| Chemical Names: | TRISODIUM-2-HYDROXY-1-(4-SULFONATO-1-NAPHTHYLAZO)-6,8-NAPHTHALENEDISULFONATE |
| CAS number: | 2611-82-7 |
| INS: | 124 |
| Functional Class: |
Food Additives COLOUR |
From apps.who.int
Evaluations
| Evaluation year: | 2011 |
| ADI: | 0–4 mg/kg bw |
| Specs Code: | R |
| Comments: | The Committee concluded that new data do not indicate a need to revise the existing ADI of 0–4 mg/kg body weight and that dietary exposure to Ponceau 4R does not present a health concern. |
| Report: | TRS 966-JECFA 74/32 |
| Specification: | FAO JECFA Monographs 11-JECFA 74/91 |
From apps.who.int
GSFA Provisions for PONCEAU 4R
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 04.1.2.7 | Candied fruit |
200 mg/kg | Note 161 |
| 04.1.2.4 | Canned or bottled (pasteurized) fruit |
300 mg/kg | Note 161 |
| 01.6.5 | Cheese analogues |
100 mg/kg | Note 3 |
| 05.1.4 | Cocoa and chocolate products |
300 mg/kg | Note 183 |
| 05.2 | Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4 |
300 mg/kg | Note 161,Note XS309R |
| 09.2.4.1 | Cooked fish and fish products |
500 mg/kg | Note 95 |
| 01.7 | Dairy-based desserts (e.g. pudding, fruit or flavoured yoghurt) |
150 mg/kg | Note 161 |
| 08.4 | Edible casings (e.g. sausage casings) |
500 mg/kg | Note 16 |
| 04.2.2.7 | Fermented vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera) and seaweed products, excluding fermented soybean products of food categories 06.8.6, 06.8.7, 12.9.1, 12.9.2.1 and 12.9.2.3 |
500 mg/kg | Note 161 |
| 01.1.4 | Flavoured fluid milk drinks |
150 mg/kg | Note 161,Note 52 |
| 10.1 | Fresh eggs |
500 mg/kg | Note 4 |
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
500 mg/kg | Note XS166,Note 16,Note 95 |
| 09.2.1 | Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
30 mg/kg | Note XS95,Note 395,Note XS312,Note XS190,Note XS36,Note XS191,Note XS315,Note XS292,Note XS165 |
| 09.2.3 | Frozen minced and creamed fish products, including mollusks, crustaceans, and echinoderms |
500 mg/kg | Note 16,Note 95 |
| 04.1.2.11 | Fruit fillings for pastries |
50 mg/kg | Note 161 |
| 04.1.2.8 | Fruit preparations, including pulp, purees, fruit toppings and coconut milk |
50 mg/kg | Note 182,Note 161 |
| 04.1.2.9 | Fruit-based desserts, including fruit-flavoured water-based desserts |
50 mg/kg | Note 161 |
| 04.1.2.6 | Fruit-based spreads (e.g. chutney) excluding products of food category 04.1.2.5 |
500 mg/kg | Note 161 |
| 04.1.2.5 | Jams, jellies, marmelades |
100 mg/kg | Note 161 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
300 mg/kg | Note 159 |
| 09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
100 mg/kg | Note 22,Note XS311 |
| 01.6.1 | Unripened cheese |
100 mg/kg | Note 3,Note 161 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 9570119 |
| IUPAC Name | trisodium;(8Z)-7-oxo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonate |
| InChI | InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-20+;;; |
| InChI Key | IVNZBWNBYXERPK-DZGBHZPSSA-K |
| Canonical SMILES | C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| Molecular Formula | C20H11N2Na3O10S3 |
| Wikipedia | Ponceau 4R |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 604.461 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 2 |
| Complexity | 1190.0 |
| 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 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 g A g A Y i B k g Z N g I I D K A l Z G A I A B g m A A I y Y c Y i I C O k A Q A w E A W A A A g C A G A g C w A A A A A A A A A A A = = |
| Topological Polar Surface Area | 238.0 |
| Monoisotopic Mass | 603.927 |
| Exact Mass | 603.927 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| 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 | 4 |
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 | |
| 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 - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Cyclic ketone - Hydrazone - Organic alkali metal salt - Organic nitrogen compound - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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