기본 정보
- 표준 SMILES
CC(=O)OOC(C)(C)C- InChIKey
SWAXTRYEYUTSAP-UHFFFAOYSA-N- 분자식
- C6H12O3
- 평균 분자량
- 132.16 g/mol
- 단동위원소 질량
- 132.07864424
개요
This liquid 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.
이름 및 식별자
- 우선 이름
- tert-Butyl peroxyacetate
- IUPAC
- tert-butyl ethaneperoxoate
- 현지명
- 터트-부틸 퍼옥시아세테이트
- 영어명
- tert-Butyl peroxyacetate
- 분자식
- C6H12O3
- 분자량
- 132.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
107-71-1- PubChem CID
- 61019
- DTXSID
DTXSID9029142- UNII
- FJ3F3S50CS
- EC Number
- 203-514-5
- Nikkaji
- J2.858D
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 101
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Peroxides, Organic
Flammable agents - 3rd degree
Physical Description
This liquid 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.
Liquid
Liquid; [CAMEO] Solution in 10-30% aliphatic hydrocarbons (Stoddard type): Light yellow liquid with a pungent odor; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -20 °C · -20 °C
- 끓는 점
- 184.08 °C · 184.08°C (rough estimate)
- 밀도
- 0.828 g/mL · 0.828 g/mL at 25 °C
- 증기압
- 1.966 Pa · 1.966Pa at 25℃
- 굴절률
- 20 · n20/D 1.412
- 인화점
- 99 °F · 99 °F
- 저장 조건
- Refrigerator (+4°C) + Flammables area
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 3.878 g/L · 3.878g/L at 25℃
- InChI
- InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3
- InChIKey
- SWAXTRYEYUTSAP-UHFFFAOYSA-N
- SMILES
- C(OOC(C)(C)C)(=O)C
- LogP
- 1.6 at · 1.6 at 25℃
- EPA
- tert-Butyl peroxyacetate (107-71-1)
화학적 성질
clear solution
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (19.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 629 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
유해성 정보
Regulatory Information
Chemical: Ethaneperoxoic acid, 1,1-dimethylethyl ester
Ethaneperoxoic acid, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethaneperoxoic acid, 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)
Status: Active Update: 31-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/22656
Ethaneperoxoic acid, 1,1-dimethylethyl ester: 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.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
A strong oxidizer that may cause fire or explosion on contact with combustible materials; Explosive and sensitive to heat and shock; [CAMEO] A moderate eye irritant; Causes respiratory depression, GI bleeding, abnormal liver function results, and effects on spermatogenesis in acute inhalation studies (species not specified); Causes abnormal recording from peripheral motor nerves, proteinuria, hemolysis, and effects on spermatogenesis and male reproductive organs in acute inhalation studies of rats; [RTECS] Solution in 10-30% aliphatic hydrocarbons (Stoddard type, CAS# 8052-41-3): Organic peroxide that may cause fire or explode on heating; A skin and strong eye irritant; Harmful by ingestion; Possible carcinogen and mutagen; [Sigma-Aldrich MSDS] See Peroxybenzoic acid, t-butyl ester and Diisopropyl peroxydicarbonate.
Reactivity Profile
TERT-BUTYL PEROXYACETATE explodes with great violence when rapidly heated to a critical temperature; pure form is shock sensitive and detonable [Bretherick 1979 p. 602]. Upon contact with organic matter, t-butyl peroxyacetate can ignite or give rise to an explosion [Haz. Chem. Data 1973 p. 77].
DOT Hazard Classification
tert-Butyl peroxyacetate, with more than 76 percent in solution
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Hazard Classes and Categories
Flam. Liq. 3 (19.4%)
Explosives - Division 1.1
Flammable agents - 3rd degree, Reactive agents - 4th degree
안전 및 보호
독성 정보
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SD8925000
- ridadr
- UN 3103 5.2
- HS 번호
- 29159000
- risk_code
- 23/24/25-36/37/38-40-65-22-10-7-45-46
- hazard_code
- F,T,O,Xi
- safety_code
- 16-26-36/37/39-45-62-47-14-7-53-3/7-36/37-35
- 포장분류
- II
- 위험 등급
- 5.2
- 기존화학 물질
- KE-04348
- Hazard Classifications
- Acute Tox. 4 OralAsp. Tox. 1Carc. 1BEye Irrit. 2Flam. Liq. 3Muta. 1BOrg. Perox. CSkin Irrit. 2STOT SE 3
- 스토리지 클래스
- 5.2 - Organic peroxides and self-reacting hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information
Plastics Product Manufacturing
Ethaneperoxoic acid, 1,1-dimethylethyl ester: ACTIVE
응용 분야
용도Polymerization initiator for vinyl monomers, manufacture of polyethylene and polystyrene.
일반 설명tert-Butyl peroxyacetate is sensitive to heat. Storage of tert-Butyl peroxyacetate must be done so with stringent temperature control measures. It's explosion hazard is also mitigated by mixing the peroxide with an inert solid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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