Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2.5-디메틸-2.5-디-티-부틸퍼옥시헥산
2,5-다이메틸-2,5-다이-(3차-뷰틸퍼옥시)헥세인 · 2,5-디메틸-2,5-(디-티-부틸퍼옥)-헥산 · 2.5-디메틸-2.5-디-티-부틸퍼옥시헥산 · 2,5-디메틸-2,5-디(tert-부틸퍼옥시)헥산 · luperox · Trigonox 101 · DPDH · luperox101
식별자 및 물리적 특성
| CAS No. | 78-63-7 |
|---|---|
| 분자식 | C16H34O4 |
| 평균 분자량 | 290.44 g/mol |
| 단동위원소 질량 | 290.24570957 g/mol |
| SMILES | CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C |
| InChIKey | DMWVYCCGCQPJEA-UHFFFAOYSA-N |
| PubChem CID | 6545 |
| ChEMBL | CHEMBL1874231 |
| EC No. | 201-128-1 |
| DTXSID | DTXSID9025110 |
| 현지명 | 2.5-디메틸-2.5-디-티-부틸퍼옥시헥산 |
화학 및 물리적 성질
| XLogP | 3.9 |
|---|---|
| 극성 표면적 | 36.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 252 |
| 물질 분류 | Other Classes -> Peroxides, OrganicIndustrial compound |
| 용해도 | less than 1 mg/mL at 73 °F (NTP, 1992)클로로포름(수용성), 메탄올(소량으로 용해) |
| 인화점 | 185 °F (NTP, 1992)149 °F |
| 끓는 점 | 122 to 126 °F at 0.1 mmHg (NTP, 1992)55-57 °C7 mm Hg(lit.) |
| 녹는점 | 46 °F (NTP, 1992)6 °C |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFRFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | 2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane, [<= 52% with inert solid] is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.CBILarge CrystalsOther SolidClear yellow liquid[CAMEO] Liquid[Sigma-Aldrich MSDS] |
| 밀도 | 0.877 g/mL at 25 °C(lit.) |
| 증기압 | 0.002Pa at 20℃ |
| 굴절률 | n20/D 1.423(lit.) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| 용해도 | 섞일 수 없음 |
| 헨리 상수 | 3.9×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 안정성 | 불안정한. 억제제를 함유할 수 있습니다. 강한 산화제, 산, 환원제, 유기 물질, 금속 분말과 호환되지 않습니다. |
| InChI | 1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3 |
| InChIKey | DMWVYCCGCQPJEA-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C |
| LogP(분배 계수) | 7.34 at 20℃ |
| EPA | 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane (78-63-7) |
화학적 성질
colourless to light yellow liquid
안전 및 규제
| GHS 분류 | DangerH226 (11.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P234, P235, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 524 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H242: Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides] |
|---|---|
| 규제 정보 | Chemical: Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)Hazard Traits - BioaccumulationEnvironmental PersistencePeroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)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: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14360Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl) 100%: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl): Human health tier I assessment |
| 운송 라벨(DOT) | Organic Peroxide |
| 화재 위험 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 건강 유해성 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 유해성 요약 | Increased liver weights with corresponding hepatocellular hypertrophy observed in 7-day oral study of rats[EPA - TSCATS] A strong oxidizing agent that can ignite combustible materialsMay explode if heated or contaminated[CAMEO] A skin and eye irritant[NTP] May explode from shock, friction, or heatA skin irritant[ECHA REACH Registrations] An unstable oxidizer that may cause fireAn irritant[Sigma-Aldrich MSDS] See 1,4-Bis(alpha-(t-butyldioxy)isopropyl)benzene, Di-tert-butyl peroxide, and Methyl ethyl ketone peroxide. |
| 반응성 그룹 | Peroxides, Organic |
| Reactivity Alerts | Strong Oxidizing AgentExplosive |
| Reactivity Profile | Peroxides, such as 2,5-DIMETHYL-2,5-DI-(TERT-BUTYLPEROXY)HEXANE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. Danger of explosion when dry. May explode from heat, shock, friction or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames.Peroxides, such as 2,5-DIMETHYL-2,5-DI-(TERT-BUTYLPEROXY)HEXANE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. Danger of explosion when dry. This compound may react violently on exposure to heat, shock or reducing agents. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (11.8%)Flammable liquids - Category 4Organic peroxides - Type C |
| 소화 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 응급 처치 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | MO1835000 |
| 운송 번호(UN) | UN 3108 5.2 |
| 관세 코드 | 29012990 |
| 위험 문구(R) | 8-36/37/38-7-36/38-10-41-37/38-68-38-2 |
| 위험 표시 | O,Xn,Xi,E |
| 안전 문구(S) | 7-17-36/37/39-3/7-26-14A-47-14-36/37-35 |
| 포장분류 | II |
| 위험 등급 | 5.2Muta. 2Org. Perox. CSkin Irrit. 2 |
| 기존화학 물질 | KE-11240 |
| 저장 분류 | 4.1A - Other explosive hazardous materials |
용도
일반 설명
2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane, also known as trigonox 101, is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.