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Ethyl-3,3-DI-(tert-butylperoxy)butyrate, [technically pure]

HCID 108769
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
55794-20-2
표준 SMILES
CCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C
InChIKey
HARQWLDROVMFJE-UHFFFAOYSA-N
분자식
C14H28O6
평균 분자량
292.37 g/mol
단동위원소 질량
292.18858861

개요

Ethyl-3,3-di-(tert-butylperoxy)butyrate, [technically pure] is a colorless to yellow liquid. Insoluble in water. Particularly sensitive to heat, shock, and friction.

이름 및 식별자

우선 이름
Ethyl-3,3-DI-(tert-butylperoxy)butyrate, [technically pure]
IUPAC
ethyl 3,3-bis(tert-butylperoxy)butanoate
영어명
Ethyl 3 3-bis(tert-butylperoxy)butyrate&
분자식
C14H28O6
분자량
292.37

이름 및 동의어

ethyl 3,3-bis(tert-butylperoxy)butanoateButanoic acid, 3,3-bis((1,1-dimethylethyl)dioxy)-, ethyl esterEINECS 259-820-4ethyl 3,3-di(t-butylperoxy)butyrateButanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, ethyl esterethyl 3,3-bis(tert-butylperoxy)butyrateEthyl 3,3-(bis(tert-butyl)dioxy)butyrateDTXSID4069050ethyl 3,3-di(tert-butylperoxy)butyrateEthyl 3,3-[bis(tert-butyl)dioxy]butyrateEthyl-3,3-DI-(tert-butylperoxy)butyrate, [technically pure]ETHYL-3,3-DI-(TERT-BUTYLPEROXY)BUTYRATE, (TECHNICALLY PURE)
이름 더 보기
L-233-M-75Luperox? 233M75Luperox(R) 233M753,3-bis- (tert-butylperoxy) butyrateEthyl 3 3-bis(tert-butylperoxy)butyrate&3,3-Bis(tert-butyldioxy)butyric acid ethylethyl3,3-bis(tert-butylperoxy)butyratesolution
RefChem:596526LUPERCO 233XLLUPERSOL 233LUPERSOL 233M75LUPERSOL 233M090DTXCID2041967USP 333L 233M75

물성

구조 계산 물성

XLogP
2.5
극성 표면적
63.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
20
형식 전하
0
복잡도
282

실험 및 물리화학적 성질

Physical Description · 2건

Ethyl-3,3-di-(tert-butylperoxy)butyrate, [technically pure] is a colorless to yellow liquid. Insoluble in water. Particularly sensitive to heat, shock, and friction.

Liquid

물리화학적 성질

끓는 점
313.5 · 313.5±37.0 °C(Predicted)
밀도
0.909 g/mL · 0.909 g/mL at 25 °C
굴절률
20 · n20/D 1.424
인화점
46 °C · 46 °C
Henry's Law Constant
5 · 5.0×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
EPA
3 · Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, ethyl ester (55794-20-2)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 1건

Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, ethyl 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)

DOT LabelOrganic Peroxide
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)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile · 1건

Peroxides, such as ETHYL-3,3-DI-(TERT-BUTYLPEROXY)BUTYRATE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. May explode from heat or contamination.

화학 및 산업

용도 및 제조

U.S. Production2023: <75,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesChemical reaction regulator
General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, ethyl ester: ACTIVE

응용 분야

일반 설명Colorless to yellow liquid. Insoluble in water. Particularly sensitive to heat, shock, and friction.

공급사3 곳

南通合润生物科技有限公司18362409333 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

관련 반응

6건
반응 기록 만들기
HRID 327279 반응식
HRID 327279반응물로uspto-grants-1993_12
HRID 1031996 반응식
HRID 1031996반응물로uspto-grants-1990_09
HRID 1122001 반응식
HRID 1122001반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1609141 반응식
HRID 1609141반응물로uspto-grants-1995_03
HRID 2210216 반응식
HRID 2210216반응물로uspto-grants-1995_10
HRID 2379235 반응식
HRID 2379235반응물로uspto-grants-1994_11

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
55794-20-2
PubChem CID
108769
DTXSID
DTXSID4069050
UNII
KAB9RC3PEN
EC Number
259-820-4
Nikkaji
J1.340D
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesOrg. Perox. C (100%)

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)]:

안전 데이터

tsca
TSCA listed
ridadr
3103
risk_code
7-10-65
hazard_code
O,Xn
safety_code
14-3/7-36/37/39-62
포장분류
II
위험 등급
5.2