Octyl triazone (CHEM133114)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 20:18:47 UTC | ||||||||
| Update Date | 2026-05-14 19:51:31 UTC | ||||||||
| Accession Number | CHEM133114 | ||||||||
| Identification | |||||||||
| Common Name | Octyl triazone | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C48H66N6O6 | ||||||||
| Average Molecular Mass | 823.092 g/mol | ||||||||
| Monoisotopic Mass | 822.504 g/mol | ||||||||
| CAS Registry Number | 88122-99-0 | ||||||||
| IUPAC Name | 2-ethylhexyl 4-({4,6-bis[(4-{[(2-ethylhexyl)oxy]carbonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)benzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]N(C1=CC=C(C=C1)C(=O)OCC(CC)CCCC)C1=NC(=NC(=N1)N([H])C1=CC=C(C=C1)C(=O)OCC(CC)CCCC)N([H])C1=CC=C(C=C1)C(=O)OCC(CC)CCCC | ||||||||
| InChI Identifier | InChI=1S/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54) | ||||||||
| InChI Key | JGUMTYWKIBJSTN-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
