基本情報
- 標準SMILES
CC(C)(C)OOC(C)(C)c1ccccc1- InChIKey
BIISIZOQPWZPPS-UHFFFAOYSA-N- 分子式
- C13H20O2
- 平均分子量
- 208.3 g/mol
- 単同位体質量
- 208.14632988
名称と識別子
- 優先名称
- Tert-butyl cumene peroxide
- IUPAC
- 2-tert-butylperoxypropan-2-ylbenzene
- 現地名
- tert-ブチルα-クミルペルオキシド
- 英語名
- TERT-BUTYL CUMYL PEROXIDE
- 分子式
- C13H20O2
- 分子量
- 208.3
名称と別名
tert-Butyl cumyl peroxide3457-61-2Luperco 801-XLPeroxide, 1,1-dimethylethyl 1-methyl-1-phenylethylJ78XB9M8IRtert-Butyl alpha,alpha-dimethylbenzyl peroxidetert-butyl-cumyl peroxideEINECS 222-389-8tert-Butyl cumene peroxide1,1-Dimethylethyl 1-methyl-1-phenylethyl peroxideTERT-BUTYLCUMENEPEROXIDEDTXSID9063039
名称をさらに表示
tert-ブチル(α-クミル)ペルオキシド(1-メチル-1-フェニルエチル)tert-ブチルペルオキシド(1,1-ジメチルエチル)(1-メチル-1-フェニルエチル)ペルオキシドトリゴノックスTカヤブチルCtert-ブチル(1-メチル-1-フェニルエチル)ペルオキシドtert-ブチルα,α-ジメチルベンジルペルオキシド1-フェニル-1-メチルエチルtert-ブチルペルオキシドtert-ブチル(α,α-ジメチルベンジル)ペルオキシド(α,α-ジメチルベンジル)tert-ブチルペルオキシド(1-メチル-1-フェニルエチル)(tert-ブチル)ペルオキシドトリゴノックスT-40tert-ブチル(1-フェニル-1-メチルエチル)ペルオキシド1-(tert-ブチルペルオキシ)-1-メチルエチルベンゼンtert-ブチルα-クミルペルオキシド2-(tert-ブチルペルオキシ)-2-フェニルプロパンtブチルα，α’ジメチルベンジルパ-オキサイド過酸化TERT-ブチルクミルt-ブチルーα-クミルパーオキサイドｔｅｒｔブチル＝１メチル１フェニルエチル＝ペルオキシドt-Butyl cumyl peroxideNA-2091Trigonox TKayabutyl CLuperox 801Luperox D 16Peroximon 801
EC 222-389-8TERT-BUTYL CUMYL PEROXIDE, (TECHNICALLY PURE)TERT-BUTYL CUMYL PEROXIDE, [TECHNICALLY PURE]PERBUTYL CRefChem:894642PEROXIMON 166TRIGONOX T 40LUPERSOL 801
データベース識別子
- CAS
30026-92-7、3457-61-2- PubChem CID
- 76997
- DTXSID
DTXSID9063039- UNII
- J78XB9M8IR
- EC Number
- 222-389-8
- Nikkaji
- J3.053H
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 18.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 185
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
Physical DescriptionCBI; Liquid
物理化学的性質
- 融点
- 5 · 5-8 °C
- 沸点
- 287.5 °C · 287.5°C (rough estimate)
- 比重(密度)
- 0.94 · 0.94
- 蒸気圧
- 14 Pa · 14Pa at 40℃
- 屈折率
- 1.419 · 1.419-1.423
- 闪点
- 72 °C · 72 °C
- 貯蔵温度
- Indoors
- 水溶解度
- 10.66 mg/L · 10.66mg/L at 20℃
- Henry's Law Constant
- 1.4 · 1.4×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- LogP
- 4.4 at · 4.4 at 25℃
- CAS データベース
- 3457 · 3457-61-2
- EPAの化学物質情報
- 1 · Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl (3457-61-2)
化学的性質
化学的特性clear liquid
安全と法規制
GHS分類
GHS Classification
Warning
H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Danger
H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl
Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl 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: 17-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13239
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Health HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile
Peroxides, such as TERT-BUTYL CUMENE PEROXIDE, 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. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Org. Perox. E (100%)
Organic peroxide - type E
Flammable liquids - Category 3
Org. Perox. E
安全と保護具
Fire FightingExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
First AidExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
安全データ
- tsca
- TSCA listed
- ridadr
- 3105
- hs_code
- 29096000
- risk_code
- 7-51/53-38
- 化審法
- 3-1031
- hazard_code
- N-Xi-O,N,Xi,O
- safety_code
- 61-36/37/39-3/7-14A-14
- hazard_class
- 5.2
- packing_group
- II
化学と産業
用途と製造
U.S. Production2023: 250,000 - <400,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information
Rubber Product Manufacturing
Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl: ACTIVE
応用分野
使用1,1-Dimethylethyl 1-methyl-1-phenylethyl Peroxide (Technical Grade) acts as a crosslinking peroxide in polymerization reactions.
上流・下流製品情報
上流原料
下流製品
サプライヤー18 社
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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