QUINOLINE YELLOW

Relevant Data

Food Additives Approved by European Union:

Quinoline Yellow [show]

General Information

Synonyms:	CI FOOD YELLOW 13
Chemical Names:	DISODIUM 2-(1,3-DIOXO-2-INDANYL)-6,8-QUINOLINESULFATES; DISODIUM 2-(2-QUINOLYL)- INDAN-1,3-DIONESULFONATES
CAS number:	8004-92-0
INS:	104
Functional Class:	Food Additives COLOUR

From apps.who.int

Evaluations

Evaluation year:	2016
ADI:	0–3 mg/kg bw
Meeting:	82
Specs Code:	R
Comments:	The Committee concluded that it was reasonable to use toxicology data on D&C; Yellow No. 10 to support the database for Quinoline Yellow. The Committee established an ADI of 0–3 mg/kg bw (rounded value) for Quinoline Yellow on the basis of a NOAEL of 250 mg/kg bw per day for effects on body weight and organ weights in two long-term studies in rats on D&C; Yellow No. 10. An uncertainty factor of 100 was applied to account for interspecies and intraspecies variability. The Committee concluded that dietary exposure to Quinoline Yellow for children and all other age groups does not present a health concern.
Report:	TRS 1000-JECFA 82/39
Specification:	FAO JECFA Monographs 19/90

From apps.who.int

GSFA Provisions for QUINOLINE YELLOW

Number	Food Category	Max Level	Notes
01.1.4	Flavoured fluid milk drinks	10 mg/kg	Note 52
12.5	Soups and broths	50 mg/kg	Note 99

From www.fao.org

Computed Descriptors

2D Structure
CID	24671
IUPAC Name	disodium;2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate
InChI	InChI=1S/C18H11NO8S2.2Na/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27;;/h1-8,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChI Key	FZUOVNMHEAPVBW-UHFFFAOYSA-L
Canonical SMILES	C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Molecular Formula	C18H9NNa2O8S2
Wikipedia	disodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	477.369
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	1
Complexity	853.0
CACTVS Substructure Key Fingerprint	A A A D c c B 6 P D B g A A A A A A A A A A A A A A A A A Y A A A A A 8 Y I A A A A A A A G C x 9 A A A H g Q A A A A A D Q y B 3 g A w w f I I E A K o A 6 R y R H D C g G A l A i A I m D 0 w Z N g I I P r I l Z G E I Q h g g A D I y Y c Z i M C O g A Q A g E A S A Q A A C A E A g C Q C A Q A A C A A A A A = =
Topological Polar Surface Area	178.0
Monoisotopic Mass	476.956
Exact Mass	476.956
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	31
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Indanones
Intermediate Tree Nodes	Not available
Direct Parent	Indanediones
Alternative Parents	Organopnictogen compounds Quinolines and derivatives Organonitrogen compounds Organic oxides Sulfonyls Aryl alkyl ketones Hydrocarbon derivatives Beta-diketones 1-sulfo,2-unsubstituted aromatic compounds Organosulfonic acids Organic sodium salts Pyridines and derivatives Azacyclic compounds Heteroaromatic compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indanedione - Quinoline - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - Pyridine - 1,3-dicarbonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Azacycle - Organoheterocyclic compound - Organic alkali metal salt - Organic salt - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic sodium salt - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.

From ClassyFire