Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,1-비스(t-부틸퍼옥시)-3,3,5-트리메틸사이클로헥산
(3,3,5-트라이메틸사이클로헥실리덴)비스[(1,1-다이메틸에틸)]퍼옥사이드 · 1,1-비스(t-부틸퍼옥시)-3,3,5-트리메틸시클로헥산 · 1,1-비스(t-부틸퍼옥시)-3,3,5-트리메틸사이클로헥산 · 1,1-다이-(TERT-뷰틸퍼옥시)-3,3,5-트라이메틸사이클로헥세인 · TMCH · LUPEROX 231 · 29 · 1,1-BIS(TERT-BUTYLPEROXY)-3,3,5-TRIMETHYLCYCLOHEXANE
식별자 및 물리적 특성
| CAS No. | 6731-36-8 |
|---|---|
| 분자식 | C17H34O4 |
| 평균 분자량 | 302.4 g/mol |
| 단동위원소 질량 | 302.24570957 g/mol |
| SMILES | CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1 |
| InChIKey | NALFRYPTRXKZPN-UHFFFAOYSA-N |
| PubChem CID | 93038 |
| EC No. | 229-782-3 |
| DTXSID | DTXSID4020165 |
| 현지명 | 1,1-비스(t-부틸퍼옥시)-3,3,5-트리메틸사이클로헥산 |
화학 및 물리적 성질
| XLogP | 5 |
|---|---|
| 극성 표면적 | 36.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 318 |
| 물질 분류 | Industrial compound |
| Physical Description | CBILiquid |
| 녹는점 | -20 °C |
| 끓는 점 | 403.47°C (rough estimate) |
| 밀도 | 0.895 |
| 증기압 | 0.009Pa at 20℃ |
| 굴절률 | n20/D 1.441(lit.) |
| 인화점 | 62 °C |
| 저장 조건 | Refrigerator (+4°C) |
| 용해도 | 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨) |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 용해도 | 섞일 수 없음 |
| InChI | InChI=1S/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3 |
| InChIKey | NALFRYPTRXKZPN-UHFFFAOYSA-N |
| SMILES | O(C1(CC(C)CC(C)(C)C1)OOC(C)(C)C)OC(C)(C)C |
| LogP(분배 계수) | 7 at 25℃ |
| EPA | Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl) (6731-36-8) |
화학적 성질
clear solution
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 8.3% (20 of 240) of reports.DangerH241 (91.7%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, P273, P280, P370+P380+P375[+P378], P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 240 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl)Hazard Traits - BioaccumulationEnvironmental PersistencePeroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl) 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)Status: Active Update: 16-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13187Peroxide, (3,3,5-trimethylcyclohexylidene)bis(1,1-dimethylethyl)-, â¤57% in dibutyl phthalate â¥43%: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl): Human health tier I assessment |
| Hazard Classes and Categories | Org. Perox. B (91.7%)Org. Perox. B (100%)Organic peroxides - Type B |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SD8600000 |
| 운송 번호(UN) | UN 3110 5.2 |
| 관세 코드 | 29096000 |
| 위험 문구(R) | 8-7-41-37/38-36/37/38-62-50-61-53-2-50/53 |
| 위험 표시 | O,Xi,N,T,E |
| 안전 문구(S) | 7-17-36/37/39-3/7-28B-26-14A-14-47-61-45-53-35-28 |
| 포장분류 | II |
| 위험 등급 | 5.2 |
| 기존화학 물질 | KE-34490 |
용도
용도
1,1-Di-tert-butylperoxy-3,5,5-trimethylcyclohexane is a crosslinking agent that may be used in polymerization reactions.