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3,3-ビス(tert-ブチルペルオキシ)ブタン酸エチル

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

HCID 108769
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
55794-20-2
標準SMILES
CCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C
InChIKey
HARQWLDROVMFJE-UHFFFAOYSA-N
分子式
C14H28O6
平均分子量
292.37 g/mol
単同位体質量
292.18858861

概要

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.

名称と識別子

優先名称
Ethyl-3,3-DI-(tert-butylperoxy)butyrate, [technically pure]
IUPAC
ethyl 3,3-bis(tert-butylperoxy)butanoate
現地名
3,3-ビス(tert-ブチルペルオキシ)ブタン酸エチル
英語名
Ethyl 3 3-bis(tert-butylperoxy)butyrate&
分子式
C14H28O6
分子量
292.37

名称と別名

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)
名称をさらに表示
3,3-ビス(tert-ブチルペルオキシ)ブタン酸エチル3,3-ビス(tert-ブチルペルオキシ)酪酸エチル3,3-ビス(tert-ブチルジオキシ)酪酸エチルエチル3,3-ビス(tert-ブチルペルオキシ)ブチラート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

物性

構造計算による物性

XLogP
2.5
極性表面積
63.2 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
10
重原子数
20
形式電荷
0
複雑度
282

実験および物理化学的性質

Physical Description · 2 件

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

物理化学的性質

沸点
313.5 · 313.5±37.0 °C(Predicted)
比重(密度)
0.909 g/mL · 0.909 g/mL at 25 °C
屈折率
20 · n20/D 1.424
闪点
46 °C · 46 °C
Henry's Law Constant
5 · 5.0×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
EPAの化学物質情報
3 · Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, ethyl ester (55794-20-2)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 1 件

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 · 1 件

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.

化学と産業

用途と製造

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

Plastics Material and Resin Manufacturing

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

応用分野

一般的な説明Colorless to yellow liquid. Insoluble in water. Particularly sensitive to heat, shock, and friction.

サプライヤー3 社

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]

関連反応

6 件
反応記録を作成
HRID 327279 の反応式
HRID 327279反応物としてuspto-grants-1993_12
HRID 1031996 の反応式
HRID 1031996反応物としてuspto-grants-1990_09
HRID 1122001 の反応式
HRID 1122001反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1609141 の反応式
HRID 1609141反応物としてuspto-grants-1995_03
HRID 2210216 の反応式
HRID 2210216反応物としてuspto-grants-1995_10
HRID 2379235 の反応式
HRID 2379235反応物としてuspto-grants-1994_11

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
RefChem:596526LUPERCO 233XLLUPERSOL 233LUPERSOL 233M75LUPERSOL 233M090DTXCID2041967USP 333L 233M75

データベース識別子

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%)

安全と保護具

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)]:

安全データ

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