n-부틸-4.4-비스(t-부틸퍼옥시)발레이트
4,4-비스(t-부틸퍼옥시)길초산n-부틸 · n-부틸-4.4-비스(t-부틸퍼옥시)발레레이트하다 · n-부틸-4.4-비스(t-부틸퍼옥시)발레이트 · N-뷰틸-4,4-디-(tert-뷰틸퍼옥시)발레르산 · n-뷰틸-4,4-다이(터트-뷰틸페록시)길초산, 기술적 · 부틸4,4-비스(tert-부틸디옥시)발레레이트 · VAROX 118 · rigonox 17
식별자 및 물리적 특성
| CAS No. | 995-33-5 |
|---|---|
| 분자식 | C17H34O6 |
| 평균 분자량 | 334.4 g/mol |
| 단동위원소 질량 | 334.2355388 g/mol |
| SMILES | CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C |
| InChIKey | BXIQXYOPGBXIEM-UHFFFAOYSA-N |
| PubChem CID | 70447 |
| EC No. | 213-626-6 |
| DTXSID | DTXSID1061366 |
| 현지명 | n-부틸-4.4-비스(t-부틸퍼옥시)발레이트 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 63.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 13 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 322 |
| Physical Description | This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.Dry PowderCBI |
| 끓는 점 | 363.9±37.0 °C(Predicted) |
| 밀도 | 0.9669 g/cm3 |
| 증기압 | 0.053Pa at 25℃ |
| 용해도 | 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| 용해도 | 2.16mg/L at 20.2℃ |
| 안정성 | 충격에 민감할 수 있음 |
| LogP(분배 계수) | 6.34 at 55℃ |
| EPA | Butyl 4,4-di(tert-butylperoxy)valerate (995-33-5) |
화학적 성질
n-butyl-4,4-bis(tert-butylperoxy) valerate is a colorless to straw liquid, with slight bleach-like odor. The product is a colorless liquid with slight camphor odor, chemically unstable (should only be handled under specified conditions, below 38°C/100°F). Contact with incompatible materials or exposure to temperatures exceeding the self accelerating decomposition temperature may result in a self-accelerating decomposition reaction with release of flammable vapors that may autoignite.
안전 및 규제
| GHS 분류 | DangerH242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]H400 (77.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (59.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H411 (77.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]H413 (22.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P210, P234, P235, P240, P273, P280, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl esterPentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl 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)Status: Active Update: 15-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21030Butyl 4,4-bis(tert-butyldioxy)valerate: 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. |
| 운송 라벨(DOT) | Organic Peroxide |
| 화재 위험 | Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:May explode from heat, shock, friction or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames. May burn rapidly with flare-burning effect. Containers may explode when heated. Runoff may create fire or explosion hazard. (ERG, 2024) |
용도
일반 설명
Butyl 4,4-bis(tert-butyldioxy)valerate is sensitive to heat. Storage of Butyl 4,4-bis(tert-butyldioxy)valerate must be done so with stringent temperature control measures. It's explosion hazard is also mitigated by mixing the peroxide with an inert solid.