HuagongsheHuagongshe Chemistry Print Report · For research reference only
Triisononyl trimellitate
1,2,4-Benzenetricarboxylic Acid 1,2,4-tris(7-Methyloctyl) Ester
Identifiers & Physical Properties
| CAS No. | 53894-23-8 |
|---|---|
| Molecular formula | C36H60O6 |
| Average molar mass | 588.9 g/mol |
| Monoisotopic mass | 588.43898963 g/mol |
| SMILES | CC(C)CCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC(C)C)c(C(=O)OCCCCCCC(C)C)c1 |
| InChIKey | YPDXSCXISVYHOB-UHFFFAOYSA-N |
| PubChem CID | 104635 |
| ChEMBL | CHEMBL3185311 |
| EC No. | 258-847-9 |
| DTXSID | DTXSID40274203 |
Chemical & Physical Properties
| XLogP | 12.5 |
|---|---|
| Topological polar surface area | 78.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 27 |
| Heavy atoms | 42 |
| Formal charge | 0 |
| Complexity | 716 |
| Physical Description | Liquid |
| Boiling point | 617.6±35.0 °C(Predicted) |
| Density | 0.980±0.06 g/cm3(Predicted) |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 96.8% (120 of 124) of all reports.Not ClassifiedAggregated GHS information provided per 124 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisononyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,4-Benzenetricarboxylic acid, 1,2,4-triisononyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: Triisononyl benzene-1,2,4-tricarboxylate (EC: 258-847-9)1,2,4-Benzenetricarboxylic acid, triisononyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Not Classified |
Applications & Uses
Uses
1,2,4-Benzenetricarboxylic Acid 1,2,4-tris(7-Methyloctyl) Ester is an analytical standard reagent.