For research use only. Not for therapeutic Use.
6PPD-quinone (Cat No.:E000003) is an environmental transformation product of N-(1,3-dimethylbutyl)-N’-phenyl-p-phenylenediamine (6PPD), a common antioxidant used in tire rubber. Its molecular formula is C18H22N2O2, and it forms through oxidation of 6PPD when exposed to ozone and other atmospheric oxidants. 6PPD-quinone has gained significant attention for its acute toxicity to aquatic life, particularly coho salmon, where it has been linked to large-scale mortality events. Chemically, it features a quinone core, enhancing its reactivity and persistence in water. This compound highlights growing concerns about tire-derived pollutants in urban runoff and their ecological impact.
| CAS Number | 2754428-18-5 |
| Synonyms | 2-((4-Methylpentan-2-yl)amino)-5-(phenylamino)cyclohexa-2,5-diene-1,4-dione; |
| Molecular Formula | C₁₈H₂₂N₂O₂ |
| Purity | ≥95% |
| Target | Endogenous Metabolite |
| Appearance | Dark Orange to Dark Red Solid |
| IUPAC Name | 2-anilino-5-(4-methylpentan-2-ylamino)cyclohexa-2,5-diene-1,4-dione |
| InChI | InChI=1S/C18H22N2O2/c1-12(2)9-13(3)19-15-10-18(22)16(11-17(15)21)20-14-7-5-4-6-8-14/h4-8,10-13,19-20H,9H2,1-3H3 |
| InChIKey | UBMGKRIXKUIXFQ-UHFFFAOYSA-N |
| SMILES | CC(C)CC(C)NC1=CC(=O)C(=CC1=O)NC2=CC=CC=C2 |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
