Neopentyl(diallyl)oxy, tri(dioctyl)phosphato titanate (CHEM120066)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 07:56:18 UTC | ||||||||
| Update Date | 2026-04-06 07:56:18 UTC | ||||||||
| Accession Number | CHEM120066 | ||||||||
| Identification | |||||||||
| Common Name | Neopentyl(diallyl)oxy, tri(dioctyl)phosphato titanate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C60H123O15P3Ti | ||||||||
| Average Molecular Mass | 1225.417 g/mol | ||||||||
| Monoisotopic Mass | 1224.755 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2,2-Bis{[(prop-2-en-1-yl)oxy-kappaO]methyl}butan-1-olato-kappaO)(dioctyl hydrogenato-kappaO phosphate)(heptyl octyl hydrogenato-kappaO phosphate)(nonyl octyl hydrogenato-kappaO phosphate)titanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1[O]([Ti+4]2([O-]P(OCCCCCCC)(OCCCCCCCC)=O)([O-]P(OCCCCCCCC)(OCCCCCCCC)=O)([O-]P(OCCCCCCCC)(OCCCCCCCCC)=O)[O-]CC1(C[O]2CC=C)CC)CC=C | ||||||||
| InChI Identifier | InChI=1/C17H37O4P.C16H35O4P.C15H33O4P.C12H21O3.Ti/c1-3-5-7-9-11-13-15-17-21-22(18,19)20-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-19-20(16,17)18-14-12-10-8-6-4-2;1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;/h3-17H2,1-2H3,(H,18,19);3-16H2,1-2H3,(H,17,18);3-15H2,1-2H3,(H,16,17);4-5H,1-2,6-11H2,3H3;/q;;;-1;+4/p-3 | ||||||||
| InChI Key | HGKWLGMQLBRREH-UHFFFAOYSA-K | ||||||||
| 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 | ||||||||
