ビス(1-フェニル-1-メチルエチル)ペルオキシド
過酸化ジクミル · ビス(1-メチル-1-フェニルエチル)=ペルオキシド · ビス(1-フェニル-1-メチルエチル)ペルオキシド · ビス(α,α-ジメチルベンジル)ペルオキシド · ジクミルペルオキシド · ジ(α-クミル)ペルオキシド · ビス(1-メチル-1-フェニルエチル)ペルオキシド · ペルカドックスBC
識別子と物理属性
| CAS No. | 80-43-3 |
|---|---|
| 分子式 | C18H22O2 |
| 平均分子量 | 270.4 g/mol |
| 単同位体質量 | 270.16197994 g/mol |
| SMILES | CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1 |
| InChIKey | XMNIXWIUMCBBBL-UHFFFAOYSA-N |
| PubChem CID | 6641 |
| ChEMBL | CHEMBL1519055 |
| EC No. | 201-279-3 |
| DTXSID | DTXSID1025017 |
| 現地名 | ビス(1-フェニル-1-メチルエチル)ペルオキシド |
化学・物理的性質
| XLogP | 4.3 |
|---|---|
| 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 | 5 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 254 |
| Polymers | Plastics & Rubber -> Curing Agents (Aromatic) |
| 化粧品 | Cosmetics ingredient -> Fragrance |
| LogP（分配係数） | log Kow = 5.50 |
| 密度 | 1.021.0 g/cm³1.56 g/mL at 25 °C (lit.) |
| Color/Form | Crystals from ethanolPale yellow to white granular solid |
| 溶解度 | less than 1 mg/mL at 73 °F (NTP, 1992)In water, 0.4 mg/L at 25 °CSolubility in water: noneChloroform (Slightly), DMSO (Slightly), Methanol (Slightly)不溶性 |
| 引火点 | Di-cup r, 160 °F (closed cup)di-cup t, 160 °F (closed cup)71 °C c.c.>230 °F |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 沸点 | 266 °F at 760 mmHg (decomposes) (NTP, 1992)BP: 100 °C at 0.2 mm Hg130°C |
| Decomposition | The substance decomposes rapidly on heating and under influence of light, causing fire and explosion hazard.130 °C |
| 融点 | 40 °C39 °C39-41 °C (lit.) |
| 蒸気密度 | 9.3 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 9.39.3 (vs air) |
| 蒸気圧 | 15.4 mm Hg ( 38 °C) |
| 屈折率 | 1.5360 |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | フレーク |
| 色 | 白い |
| BRN | 2056090 |
| ヘンリー定数 | 2.2×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 還元剤、重金属、濃酸、濃アルカリと激しく反応する。有機物と接触すると火傷することがあります。日光や熱にさらされると激しく分解することがあります。強力な酸化剤とは相容れない。 |
| InChI | 1S/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3 |
| InChIKey | XMNIXWIUMCBBBL-UHFFFAOYSA-N |
| SMILES | CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 |
| LogP（分配係数） | 5.6 at 25℃ |
| CAS データベース | 80-43-3(CAS DataBase Reference) |
| EPAの化学物質情報 | Dicumyl peroxide (80-43-3) |
化学的特性
Dicumyl peroxide is a crystalline solid that melts at 42°C. It is insoluble in water and soluble in vegetable oil and organic solvents . It is used as a high-temperature catalyst in production of polystyrene plastics. The deflagration hazard potential of this peroxide was tested using 5 g of igniter in the revised time–pressure test, but no pressure rise was produced . Noller et al. found it to be an intermediate fire hazard.
安全性と法規制
| GHS 分類 | DangerH242: Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P203, P210, P234, P235, P240, P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1287) of reports.H242 (> 99.9%): Heating may cause a fire [Danger Self-reactive substances and mixtures |
|---|---|
| 規制情報 | Chemical: Peroxide, bis(1-methyl-1-phenylethyl)Hazard Traits - Reproductive ToxicityPeroxide, bis(1-methyl-1-phenylethyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, bis(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: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14703Substance: Bis(α,α-dimethylbenzyl) peroxidePeroxide, bis(1-methyl-1-phenylethyl): Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Peroxide, bis(1-methyl-1-phenylethyl) (dicumyl peroxide) |
| 輸送ラベル（DOT） | Organic Peroxide |
| 火災危険 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:Combustible. Finely dispersed particles form explosive mixtures in air. |
| 火災の可能性 | ... May ignite organic materials on contact.Dangerous fire hazard by chemical reaction with reducing agents or exposure to heat. /Organic peroxides/ |
| 健康有害性 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 有害性の概要 | Causes somnolence in lethal-dose feeding studies of ratsCauses methemoglobinemia in subcutaneous injections of cats and rats[RTECS] A strong oxidizerMay ignite on contact with organic substances |
用途
用途
有機過酸化物(重合触媒)
使用
Dicumyl peroxide(DCP) is used:in vulcanization of rubber as a crosslinking agent in the synthesis of polylactic acid composite fibers in the preparation of polyethylene composites in the synthesis of polyamide 112/ethylene vinyl acetate copolymer blends.
一般的な説明
Dicumyl peroxide is a pale yellow to white granular solid with a characteristic odor. It is used as a polymerization catalyst and vulcanizing agent.
製法・合成法
純化方法
Crystallise the peroxide from 95% EtOH (charcoal). Store it at 0o. Potentially EXPLOSIVE. [Beilstein 6 IV 3220.]