1,1-비스(t-부틸퍼옥시)-3,3,5-트리메틸사이클로헥산
1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
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기본 정보
- CAS
6731-36-8- 표준 SMILES
CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1- InChIKey
NALFRYPTRXKZPN-UHFFFAOYSA-N- 분자식
- C17H34O4
- 평균 분자량
- 302.4 g/mol
- 단동위원소 질량
- 302.24570957
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
- IUPAC
- 1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
- 현지명
- 1,1-비스(t-부틸퍼옥시)-3,3,5-트리메틸사이클로헥산
- 영어명
- 1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane
- 분자식
- C17H34O4
- 분자량
- 302.46
이름 및 동의어
1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexaneCCRIS 6844Di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxideDTXSID4020165Peroxide, (3,3,5-trimethylcyclohexylidene)bis((1,1-dimethylethyl)peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl)Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis(2-(1,1-dimethylethyl)Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl)RefChem:409722DTXCID80165229-782-3946-237-1
이름 더 보기
(3,3,5-트라이메틸사이클로헥실리덴)비스[(1,1-다이메틸에틸)]퍼옥사이드1,1-비스(t-부틸퍼옥시)-3,3,5-트리메틸시클로헥산1,1-비스(t-부틸퍼옥시)-3,3,5-트리메틸사이클로헥산(3,3,5-트라이메틸사이클로헥실리덴)비스[(1,1-다이메틸에틸)]퍼옥사이드1,1-다이-(TERT-뷰틸퍼옥시)-3,3,5-트라이메틸사이클로헥세인TMCH29perhexa3mVAROX 231luperco231glupersol231perhexa3m40
6731-36-8Luperox 2311,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane1,1-di-(tert-butylperoxy)-3,3,5-trimethylcyclohexanePerhexa 3MTrigonox 29Luperco 231GLupersol 231
데이터베이스 식별자
- CAS
6731-36-8、6731-86-8- PubChem CID
- 93038
- DTXSID
DTXSID4020165- EC Number
- 229-782-3、946-237-1
- Nikkaji
- J3.090B
물성
구조 계산 물성보충 중
- XLogP
- 5
- 극성 표면적
- 36.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 318
실험 및 물리화학적 성질
Chemical ClassesIndustrial compound
Physical DescriptionCBI; Liquid
물리화학적 성질
- 녹는점
- -20 °C · -20 °C
- 끓는 점
- 403.47 °C · 403.47°C (rough estimate)
- 밀도
- 0.895 · 0.895
- 증기압
- 0.009 Pa · 0.009Pa at 20℃
- 굴절률
- 20 · n20/D 1.441(lit.)
- 인화점
- 62 °C · 62 °C
- 저장 조건
- Refrigerator (+4°C)
- 용해도
- 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 8.3% (20 of 240) of reports.
Danger
H241 (91.7%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic 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.
Danger
유해성 정보
Regulatory Information
Chemical: Peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl)
Hazard Traits - Bioaccumulation; Environmental Persistence
Peroxide, 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/13187
Peroxide, (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
Other Safety InformationIMAP 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
안전 데이터
화학 및 산업
용도 및 제조
U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl): ACTIVE
응용 분야
용도1,1-Di-tert-butylperoxy-3,5,5-trimethylcyclohexane is a crosslinking agent that may be used in polymerization reactions.
관련 반응
5건
화합물 노트
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