Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2-디메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필 페닐메틸-1,2-벤젠디카복실산
2,2-다이메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필페닐메틸-1,2-벤젠디카복실산 · 2,2-디메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필페닐메틸-1,2-벤젠디카복실산 · 2,2-다이메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필페닐메틸-1,2-벤젠디카복실산(2,2-... · 벤질3-이소부티릴옥시-1-이소프로필-2,2-디메틸프로필프탈레이트 · benzyl phthalate derivative · HPZSSCRWFLKGOG-UHFFFAOYSA-N · 3-Hydroxy-2,2,4-triMethylpentyl Ester Benzyl Phthalate · Benzyl-3-isobutyryloxy-1-isopropyl-2,2-dimethyl-propylphthalat
식별자 및 물리적 특성
| CAS No. | 16883-83-3 |
|---|---|
| 분자식 | C27H34O6 |
| 평균 분자량 | 454.6 g/mol |
| 단동위원소 질량 | 454.2355388 g/mol |
| SMILES | CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1C(=O)OCc1ccccc1)C(C)C |
| InChIKey | HPZSSCRWFLKGOG-UHFFFAOYSA-N |
| PubChem CID | 28124 |
| EC No. | 240-920-1 |
| DTXSID | DTXSID4027785 |
| 현지명 | 2,2-디메틸-1-(1-메틸에틸-3-(2-메틸-1-옥시프로폭시)프로필 페닐메틸-1,2-벤젠디카복실산 |
화학 및 물리적 성질
| XLogP | 6.6 |
|---|---|
| 극성 표면적 | 78.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 13 |
| 무거운 원자 수 | 33 |
| 형식 전하 | 0 |
| 복잡도 | 647 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Liquid |
| 끓는 점 | 533.1±35.0 °C(Predicted) |
| 밀도 | 1.102±0.06 g/cm3(Predicted) |
| EPA | Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate (16883-83-3) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 96.6% (85 of 88) of all reports.Not ClassifiedAggregated GHS information provided per 88 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) 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)1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl 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 |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | KE-28732 |
용도
용도
3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalate is used as a plasticizer in the synthesis of rubber materials and PVC.