化工社化工社 化学情報印刷レポート · 研究参考用
1,2,4-ベンゼントリカルボン酸1,2,4-トリス(7-メチルオクチル)エステル
1,2,4-ベンゼントリカルボン酸1,2,4-トリス(7-メチルオクチル)エステル · 1,2,4-Benzenetricarboxylic Acid 1,2,4-tris(7-Methyloctyl) Ester
識別子と物理属性
| CAS No. | 53894-23-8 |
|---|---|
| 分子式 | C36H60O6 |
| 平均分子量 | 588.9 g/mol |
| 単同位体質量 | 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 |
| 現地名 | 1,2,4-ベンゼントリカルボン酸1,2,4-トリス(7-メチルオクチル)エステル |
化学・物理的性質
| XLogP | 12.5 |
|---|---|
| 極性表面積 | 78.9 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 27 |
| 重原子数 | 42 |
| 形式電荷 | 0 |
| 複雑度 | 716 |
| Physical Description | Liquid |
| 沸点 | 617.6±35.0 °C(Predicted) |
| 密度 | 0.980±0.06 g/cm3(Predicted) |
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | 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 |
用途
使用
1,2,4-Benzenetricarboxylic Acid 1,2,4-tris(7-Methyloctyl) Ester is an analytical standard reagent.