기본 정보
- CAS
3006-82-4- 표준 SMILES
CCCCC(CC)C(=O)OOC(C)(C)C- InChIKey
WYKYCHHWIJXDAO-UHFFFAOYSA-N- 분자식
- C12H24O3
- 평균 분자량
- 216.32 g/mol
- 단동위원소 질량
- 216.17254463
개요
This peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. It is generally stored or transported with inert solids to mitigate the explosion hazard.
이름 및 식별자
- 우선 이름
- tert-Butyl peroxy-2-ethylhexanoate
- IUPAC
- tert-butyl 2-ethylhexaneperoxoate
- 현지명
- t-부틸퍼옥시옥토에이트
- 영어명
- tert-Butyl peroxy-2-ethylhexanoate
- 분자식
- C12H24O3
- 분자량
- 216.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3006-82-4- PubChem CID
- 102924
- DTXSID
DTXSID0027511- UNII
- KGA9W7ZS5I
- EC Number
- 221-110-7
- Nikkaji
- J3.044I
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 182
실험 및 물리화학적 성질
Physical Description
This peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. It is generally stored or transported with inert solids to mitigate the explosion hazard.
Liquid; CBI
물리화학적 성질
- 녹는점
- -30 °C · -30°C
- 끓는 점
- 248.9 · 248.9±23.0 °C(Predicted)
- 밀도
- 0.89 · 0.89
- 증기압
- 2 Pa · 2Pa at 20℃
- 인화점
- 85 °C · 85°C
- 산도 계수 (pKa)
- -4.8 · -4.8[at 20 ℃]
- 수용성
- 46.3 mg/L · 46.3mg/L at 20℃
- InChI
- InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3
- InChIKey
- WYKYCHHWIJXDAO-UHFFFAOYSA-N
- SMILES
- C(OOC(C)(C)C)(=O)C(CC)CCCC
- LogP
- 4.79 at · 4.79 at 20℃
- EPA
- 2 · Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester (3006-82-4)
화학적 성질
Tert-Butyl peroxy-2-ethylhexanoate is a colorless liquid. It has a half-life in benzene of 10.0 h at 162°F (72°C). It is used as a medium temperature initiator for the polymerization of vinyl monomers and the curing of styrene-unsaturated polyester resins. It is regarded as an intermediate fire hazard; however, it has low impact sensitivity .
안전 및 규제
GHS 분류
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 1.9% (19 of 1021) of reports.
Danger
H242 (95.9%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
유해성 정보
Regulatory Information
Chemical: Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester
Hazard Traits - Reproductive Toxicity
Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl 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)
REACH registered substance: tert-butyl 2-ethylperoxyhexanoate (EC: 221-110-7)
Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
TERT-BUTYL PEROXY-2-ETHYLHEXANOATE explodes with great violence when rapidly heated to a critical temperature; pure form is shock sensitive and detonable [Bretherick 1979 p. 602]. Decomposes violently or explosively at temperatures 0-10 °C owing to self- accelerating exothermic decomposition; Several explosions were due to shock, heat or friction; amines and certain metals can cause accelerated decomposition [Bretherick 1979 p. 156]. Danger of explosion when dry
Hazard Classes and Categories
Org. Perox. C (95.9%)
Flammable liquids - Category 4
Skin sensitization - Category 1
Repr. 1B
안전 및 보호
안전 데이터
- tsca
- TSCA listed
- ridadr
- UN 2143
- 기존화학 물질
- KE-13737
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester: ACTIVE
응용 분야
용도Tert-Butyl peroxy-2-ethylhexanoate (TBPO), also known as Trigonox 21S or PEROXAN PO-30 , is an initiator for (co)polymerization of ethylene, styrene, acrylonitrile and (meth)acrylates. Curing agent for unsaturated polyester resins. It is used for high pressure polymerization of ethylene in both autoclave and tubular processes, usually in combination with other peroxides of varying degrees of activity.
일반 설명This peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. tert-Butyl peroxy-2-ethylhexanoate is generally stored or transported with inert solids to mitigate the explosion hazard.
상·하류 제품 정보
상류 원료
공급사76 곳
관련 반응
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…