(2-エチルヘキサノイル)(tert-ブチル)ペルオキシド

tert-Butyl peroxy-2-ethylhexanoate

HCID 102924
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
3006-82-4
標準SMILES
CCCCC(CC)C(=O)OOC(C)(C)C
InChIKey
WYKYCHHWIJXDAO-UHFFFAOYSA-N
分子式
C12H24O3
平均分子量
216.32 g/mol
単同位体質量
216.17254463

概要

This peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. It is generally stored or transported with inert solids to mitigate the explosion hazard.

名称と識別子

優先名称
tert-Butyl peroxy-2-ethylhexanoate
IUPAC
tert-butyl 2-ethylhexaneperoxoate
現地名
(2-エチルヘキサノイル)(tert-ブチル)ペルオキシド
英語名
tert-Butyl peroxy-2-ethylhexanoate
分子式
C12H24O3
分子量
216.32

名称と別名

tert-butyl 2-ethylhexaneperoxoateHexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl estertert-Butyl peroxy-2-ethylhexanoatetert-Butyl 2-ethylperoxyhexanoateTrigonox 21INTEROX TBPEHPERCURE OKGA9W7ZS5ICHALOXYD P 1310tert-butyl 2-ethylperhexanoate2-ETHYLHEXANOYL TERT-BUTYL PEROXIDEUNII-KGA9W7ZS5I
名称をさらに表示
(2-エチルヘキサノイル)(tert-ブチル)ペルオキシドtert-ブチル(2-エチルヘキサノイル)ペルオキシドトリゴノックス212-エチルペルオキシヘキサン酸tert-ブチル2-エチルヘキサンペルオキシ酸1,1-ジメチルエチル2-エチルヘキサンペルオキシ酸tert-ブチルt－ブチルパ-オキシオクトエ-トt-ブチルパーオキシオクトエートｔｅｒｔブチル＝２エチルペルオキシヘキサノアトtert-ブチル＝2-エチルペルオキシヘキサノアートtert-Butyl peroctoateTBPEHInitiating agent OTt-butylperoxyoctoatetert-Butyl peroxy-2-tert-Butyl peroxyoctoateLipid peroxide tert-butylbutyl peroxy-2-ethylhexanoate
Peroxyhexanoic acid, 2-ethyl-, tert-butyl esterDTXSID0027511EINECS 221-110-7EC 221-110-7TERT-BUTYL PEROXY-2-ETHYLHEXANOATE, (TECHNICALLY PURE)TERT-BUTYL PEROXY-2-ETHYLHEXANOATE, [TECHNICALLY PURE]Esperox 28LUPERSOL PDO

データベース識別子

CAS
3006-82-4
PubChem CID
102924
DTXSID
DTXSID0027511
UNII
KGA9W7ZS5I
EC Number
221-110-7
Nikkaji
J3.044I

物性

構造計算による物性

XLogP
4
極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
8
重原子数
15

実験および物理化学的性質

Physical Description · 2 件

This peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. It is generally stored or transported with inert solids to mitigate the explosion hazard.

Liquid; CBI

物理化学的性質

融点
-30 °C · -30°C
沸点
248.9 · 248.9±23.0 °C(Predicted)
比重(密度)
0.89 · 0.89
蒸気圧
2 Pa · 2Pa at 20℃
闪点
85 °C · 85°C
酸解離定数(Pka)
-4.8 · -4.8[at 20 ℃]
化学的性質 · 1 件

化学的特性Tert-Butyl peroxy-2-ethylhexanoate is a colorless liquid. It has a half-life in benzene of 10.0 h at 162°F (72°C). It is used as a medium temperature initiator for the polymerization of vinyl monomers and the curing of styrene-unsaturated polyester resins. It is regarded as an intermediate fire hazard; however, it has low impact sensitivity .

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 1.9% (19 of 1021) of reports.

Danger

H242 (95.9%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

危険有害性情報

Regulatory Information · 5 件

Chemical: Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester

Hazard Traits - Reproductive Toxicity

Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexaneperoxoic acid, 2-ethyl-, 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)

REACH registered substance: tert-butyl 2-ethylperoxyhexanoate (EC: 221-110-7)

Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Health HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive

安全と保護具

Fire FightingExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
First AidExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Nonfire Spill ResponseExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Isolation and EvacuationExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:

安全データ

tsca
TSCA listed
ridadr
UN 2143
化審法
一般化学物質

化学と産業

用途と製造

U.S. Production2023: 5,500,000 - <7,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesCBI
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester: ACTIVE

応用分野 · 3 件

用途有機過酸化物(重合触媒)

使用Tert-Butyl peroxy-2-ethylhexanoate (TBPO), also known as Trigonox 21S or PEROXAN PO-30 , is an initiator for (co)polymerization of ethylene, styrene, acrylonitrile and (meth)acrylates. Curing agent for unsaturated polyester resins. It is used for high pressure polymerization of ethylene in both autoclave and tubular processes, usually in combination with other peroxides of varying degrees of activity.

一般的な説明This peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. tert-Butyl peroxy-2-ethylhexanoate is generally stored or transported with inert solids to mitigate the explosion hazard.

上流・下流製品情報

サプライヤー76 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…