터트-부틸 퍼옥시아세테이트
tert-Butyl peroxyacetate
기본 정보
- CAS
107-71-1- 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
tert-Butyl peroxyacetatetert-Butyl peracetatet-Butyl peracetateLupersol 70t-Butyl peroxyacetateTrigonox F-C50ETHANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTERPeroxyacetic acid, tert-butyl esterUNII-FJ3F3S50CSFJ3F3S50CSEINECS 203-514-5NSC 118417
이름 더 보기
3차부틸퍼옥시아세테이트T-부틸퍼옥시디에틸아세테이트t-부틸퍼옥시아세테이트과초산t-부틸터셔리부틸퍼옥시아세테이트(57%이상)터트-부틸퍼옥시아세테이트3차부틸퍼옥시아세테이트터트-부틸 퍼옥시아세테이트tert-butyltert-Butyl ethaneperoxoateTrigonox?Flupersol70LUPEROX 7M50LUPEROX 7M75trigonoxf-c50Butylperacetate
BRN 1701510NSC-1184174-02-00-00391 (Beilstein Handbook Reference)BUTYL PERACETATE, TERT-DTXSID9029142ACETYL TERT-BUTYL PEROXIDEBUTYL PEROXYACETATE, TERT. (TERT-BUTYL\PERACETATE)BUTYL PEROXYACETATE, TERT. {TERT-BUTYL\PERACETATE}
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
SpringerMaterials PropertiesChemical shift
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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.)
DOT LabelOrganic Peroxide Explosive
Fire HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Health HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
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.
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
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)
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Flam. Liq. 3 (19.4%)
Explosives - Division 1.1
Flammable agents - 3rd degree, Reactive agents - 4th degree
안전 및 보호
Fire FightingExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
First AidExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
독성 정보
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity DataLC33 (rat) = 8,200 mg/m3/4hr
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
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
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
관련 반응
7건
화합물 노트
불러오는 중…