化工社化工社 化学情報印刷レポート · 研究参考用
tert-ブチルα-クミルペルオキシド
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C · tert-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
識別子と物理属性
| CAS No. | 30026-92-7 |
|---|---|
| 分子式 | C13H20O2 |
| 平均分子量 | 208.3 g/mol |
| 単同位体質量 | 208.14632988 g/mol |
| SMILES | CC(C)(C)OOC(C)(C)c1ccccc1 |
| InChIKey | BIISIZOQPWZPPS-UHFFFAOYSA-N |
| PubChem CID | 76997 |
| EC No. | 222-389-8 |
| DTXSID | DTXSID9063039 |
| 現地名 | tert-ブチルα-クミルペルオキシド |
化学・物理的性質
| XLogP | 3.2 |
|---|---|
| 極性表面積 | 18.5 |
| 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 |
| SpringerMaterials Properties | Boiling point |
| Physical Description | CBILiquid |
| 融点 | 5-8 °C |
| 沸点 | 287.5°C (rough estimate) |
| 密度 | 0.94 |
| 蒸気圧 | 14Pa at 40℃ |
| 屈折率 | 1.419-1.423 |
| 引火点 | 72 °C |
| 貯蔵条件 | Indoors |
| 溶解度 | 10.66mg/L at 20℃ |
| ヘンリー定数 | 1.4×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| LogP（分配係数） | 4.4 at 25℃ |
| CAS データベース | 3457-61-2 |
| EPAの化学物質情報 | Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl (3457-61-2) |
化学的特性
clear liquid
安全性と法規制
| GHS 分類 | WarningH242: Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic 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)H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixturesP210, 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) |
|---|---|
| 規制情報 | Chemical: Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethylPeroxide, 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 |
| 輸送ラベル（DOT） | Organic Peroxide |
| 火災危険 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 健康有害性 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 反応性グループ | Peroxides, Organic |
| Reactivity Alerts | Explosive |
| 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. |
用途
使用
1,1-Dimethylethyl 1-methyl-1-phenylethyl Peroxide (Technical Grade) acts as a crosslinking peroxide in polymerization reactions.