기본 정보
- 표준 SMILES
CC(C)C(=O)OOC(=O)C(C)C- InChIKey
RPBWMJBZQXCSFW-UHFFFAOYSA-N- 분자식
- C8H14O4
- 평균 분자량
- 174.19 g/mol
- 단동위원소 질량
- 174.08920893
개요
This liquid peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently.
이름 및 식별자
- 우선 이름
- Peroxide, bis(2-methyl-1-oxopropyl)
- IUPAC
- 2-methylpropanoyl 2-methylpropaneperoxoate
- 현지명
- 이소부티릴 퍼옥사이드
- 영어명
- Diisobutyryl peroxide
- 분자식
- C8H14O4
- 분자량
- 174.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3437-84-1- PubChem CID
- 76969
- DTXSID
DTXSID0063024- UNII
- 25V73818UN
- EC Number
- 222-340-0
- Nikkaji
- J1.256D
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 152
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 225.17 °C · 225.17°C (rough estimate)
- 밀도
- 1.0817 · 1.0817 (rough estimate)
- 증기압
- 1.2 · 1.2-2.41hPa at 20-25℃
- 굴절률
- 1.422 · 1.4220 (estimate)
- 수용성
- 49.1 g/L · 49.1g/L at 25℃
- InChI
- InChI=1S/C8H14O4/c1-5(2)7(9)11-12-8(10)6(3)4/h5-6H,1-4H3
- InChIKey
- RPBWMJBZQXCSFW-UHFFFAOYSA-N
- SMILES
- O(C(=O)C(C)C)OC(=O)C(C)C
- LogP
- 0.94 · 0.94-2.6 at 20-25℃
- EPA
- Peroxide, bis(2-methyl-1-oxopropyl) (3437-84-1)
안전 및 규제
GHS 분류
GHS Classification
Danger
H241 (100%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P260, P261, P264, P264+P265, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P331, P333+P317, P337+P317, P362+P364, P363, P370+P380+P375[+P378], P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
Most of the isolated diacyl peroxides are solids with relatively low decomposition temperatures, and are explosive, and sensitive to shock, heat, or friction. Several, particularly the lower members, will detonate on the slightest disturbance. Autocatalytic, self-accelerating decomposition, which is promoted by tertiary amines, is involved. A sample of DIISOBUTYRYL PEROXIDE in ether was being evaporated to dryness with a stream of air when it exploded violently, [MCA Case History No. 579]. Can generate electrostatic charges. REF [Handling Chemicals Safely, 1980. p. 250].
안전 및 보호
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3115
- 포장분류
- II
- 위험 등급
- 5.2
화학 및 산업
용도 및 제조
응용 분야
일반 설명Diisobutyryl peroxide(in solution,content≤52%) is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently.
상·하류 제품 정보
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