IRON OXIDE YELLOW
General Information
| Synonyms: | CI PIGMENT YELLOW 42 AND 43 |
| Chemical Names: | HYDRATED FERRIC OXIDE; HYDRATED IRON (III) OXIDE |
| CAS number: | 51274-00-1 |
| INS: | 172(iii) |
| Functional Class: |
Food Additives COLOUR |
From apps.who.int
Evaluations
| Evaluation year: | 1979 |
| ADI: | 0-0.5 mg/kg bw |
| Meeting: | 23 |
| Specs Code: | R (1989) |
| Report: | TRS 648-JECFA 23/13 |
| Tox Monograph: | FAS 6/NMRS 54A-JECFA 18/100 (1974) |
| Specification: | COMPENDIUM ADDENDUM 12/FNP 52 Add. 12/33 (2004), R; FAO JECFA Monographs 1 vol.2/221 |
From apps.who.int
GSFA Provisions for IRON OXIDE YELLOW
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 05.3 | Chewing gum |
10,000 mg/kg | Note 161 |
| 05.2 | Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4 |
200 mg/kg | Note XS309R |
| 08.4 | Edible casings (e.g. sausage casings) |
1,000 mg/kg | Note 72 |
| 01.1.4 | Flavoured fluid milk drinks |
20 mg/kg | Note 402,Note 52 |
| 13.6 | Food supplements |
7,500 mg/kg | Note 3 |
| 10.1 | Fresh eggs |
GMP | Note 4 |
| 09.4 | Fully preserved, including canned or fermented fish and fish products, including mollusks, crustaceans, and echinoderms |
50 mg/kg | Note 95 |
| 09.3.4 | Semi-preserved fish and fish products, including mollusks, crustaceans, and echinoderms (e.g. fish paste), excluding products of food categories 09.3.1 - 09.3.3 |
50 mg/kg | Note 95 |
| 09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
250 mg/kg | Note XS311,Note 22 |
| 12.5 | Soups and broths |
100 mg/kg | Note XS117 |
| 04.1.1.2 | Surface-treated fresh fruit |
1,000 mg/kg | Note 16,Note 4 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 5284351 |
| IUPAC Name | disodium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate |
| InChI | InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;; |
| InChI Key | KHLVKKOJDHCJMG-QDBORUFSSA-L |
| Canonical SMILES | C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+] |
| Molecular Formula | C16H8N2Na2O8S2 |
| Wikipedia | indigotindisulfonate sodium |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 466.346 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 0 |
| Complexity | 855.0 |
| 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 W L A A A A w Y A A A A A A A A F g B Q A A A H g Q Q A A A A D A y B 2 A A w w Y L A A A K I A q R S Q H D C A E A l A g A I i B m A Z M g I I D r A l b G E I Y h g k A D I y c c Y i I C O A A Q A g A A C A A A A C A E A A A Q A A A A A A A A A A A = = |
| Topological Polar Surface Area | 189.0 |
| Monoisotopic Mass | 465.952 |
| Exact Mass | 465.952 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| 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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Arylsulfonic acid or derivatives - Dihydroindole - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Secondary aliphatic/aromatic amine - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Ketone - Enamine - Secondary amine - Azacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic sodium salt - Organic salt - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
From ClassyFire