C.I. Vat Yellow 33 (CED0137923)

Record Information
Version1.0
Creation Date2026-04-03 07:52:30 UTC
Update Date2026-08-22 19:33:37 UTC
Accession NumberCHEM062850
Identification
Common NameC.I. Vat Yellow 33
ClassSmall Molecule
Description
C.I. Vat Yellow 33 is a chemical compound with the formula C54H32N4O6. C.I. Vat Yellow 33 belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. With an average molecular weight of 832.87 g/mol, C.I. Vat Yellow 33 is a heavy molecule. This substance has been identified in or released from 10 recorded sources across various sectors. In the category of electrical and electronic equipment, it is associated with selectors, video games, and gas filled discharge tubes with solid cathode. Within food, food processing and cookware, it is linked to the treatment of hops, processing fish, and the preparation of vinegar. Its presence is also noted in building and construction materials, specifically ladders, stairs, and ramps. Additionally, C.I. Vat Yellow 33 is found in household items such as key rings and in household cleaning and consumer products, specifically pipe accessories.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC54H32N4O6
Average Molecular Mass832.872 g/mol
Monoisotopic Mass832.232 g/mol
CAS Registry Number12227-50-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESO=C(NC1=CC=CC2=C1C(=O)C1=CC=CC=C1C2=O)C1=CC=C(C=C1)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=CC=C1
InChI IdentifierInChI=1S/C54H32N4O6/c59-49-39-7-1-3-9-41(39)51(61)47-43(49)11-5-13-45(47)55-53(63)35-19-15-31(16-20-35)33-23-27-37(28-24-33)57-58-38-29-25-34(26-30-38)32-17-21-36(22-18-32)54(64)56-46-14-6-12-44-48(46)52(62)42-10-4-2-8-40(42)50(44)60/h1-30H,(H,55,63)(H,56,64)/b58-57+
InChI KeyAJDUTMFFZHIJEM-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5377.0Log mg/kg[3000:9600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
498LaddersBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
532SelectorsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
573Key RingsHousehold itemsNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
584BuoysMarine, shipping & aquacultureNot Available
593Nautical InstrumentsMarine, shipping & aquacultureNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
620Card GamesRecreation & sports surfacesNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
639Degreasing LeatherTextiles, leather & furnishingsNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
645Inorganic FibresTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP0DB00Streptococcus pyogenes serotype M3 (strain ATCC BAA-595 / MGAS315)Predicted (SEA)6.53933
Click to view 3D structureHexokinase HKDC1Q2TB90HumansPredicted (SEA)8.56341
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)60.4888
Histone deacetylase 9 structureClick to view 3D structureHistone deacetylase 9Q9UKV0HumansPredicted (SEA)95.521
Histone deacetylase 5 structureClick to view 3D structureHistone deacetylase 5Q9UQL6HumansPredicted (SEA)125.804
Receptor-type tyrosine-protein phosphatase C structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase CP08575HumansPredicted (SEA)6.07224
Histone deacetylase 7 structureClick to view 3D structureHistone deacetylase 7Q8WUI4HumansPredicted (SEA)133.979
Click to view 3D structurePolyamine deacetylase HDAC10Q969S8HumansPredicted (SEA)117.163
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)17.9832
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)241.177
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)103.617
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)220.78
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)510.068
Protective antigen structureClick to view 3D structureProtective antigenP13423Bacillus anthracisPredicted (SEA)2.41333
Click to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylase BC_1974Q81EJ6Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 /NCIMB 9373 / NRRL B-3711)Predicted (SEA)2.56902
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)177.496
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)211.983
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)118.72
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)133.122
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)82.1309
Beta-ketoacyl-[acyl-carrier-protein] synthase III structureClick to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIQ820T1Enterococcus faecalis (strain ATCC 700802 / V583)Predicted (SEA)6.61718
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)108.989
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)164.651
Click to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP43711Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)Predicted (SEA)5.29375
Click to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP68795Staphylococcus aureus subsp. aureus Mu50Predicted (SEA)7.70707
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available