Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2,4-벤질트리카르복실산1,2,4-트리스(7-메틸옥틸)에스테르
1,2,4-벤질트리카르복실산1,2,4-트리스(7-메틸옥틸)에스테르 · 1,2,4-Benzenetricarboxylic Acid 1,2,4-tris(7-Methyloctyl) Ester
식별자 및 물리적 특성
| CAS No. | 53894-23-8 |
|---|---|
| 분자식 | C36H60O6 |
| 평균 분자량 | 588.9 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 1,2,4-벤질트리카르복실산1,2,4-트리스(7-메틸옥틸)에스테르 |
화학 및 물리적 성질
| XLogP | 12.5 |
|---|---|
| 극성 표면적 | 78.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 27 |
| 무거운 원자 수 | 42 |
| 형식 전하 | 0 |
| 복잡도 | 716 |
| Physical Description | Liquid |
| 끓는 점 | 617.6±35.0 °C(Predicted) |
| 밀도 | 0.980±0.06 g/cm3(Predicted) |
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
용도
용도
1,2,4-Benzenetricarboxylic Acid 1,2,4-tris(7-Methyloctyl) Ester is an analytical standard reagent.