化工社化工社 化学情報印刷レポート · 研究参考用
3,4-エポキシ-3-メチル-1-ブテン
2-メチル-2-エテニルオキシラン · 2-エテニル-2-メチルオキシラン · 2-ビニル-2-メチルオキシラン · 2-メチル-2-ビニルオキシラン · 1,2-エポキシ-2-メチル-3-ブテン · 3,4-エポキシ-3-メチル-1-ブテン · イソプレン-1,2-オキシド · 2-METHYL-2-VINYLOXIRANE
識別子と物理属性
| CAS No. | 1838-94-4 |
|---|---|
| 分子式 | C5H8O |
| 平均分子量 | 84.12 g/mol |
| 単同位体質量 | 84.05751488 g/mol |
| SMILES | C=CC1(C)CO1 |
| InChIKey | FVCDMHWSPLRYAB-UHFFFAOYSA-N |
| PubChem CID | 92166 |
| EC No. | 628-136-1 |
| DTXSID | DTXSID701031061 |
| 現地名 | 3,4-エポキシ-3-メチル-1-ブテン |
化学・物理的性質
| XLogP | 0.7 |
|---|---|
| 極性表面積 | 12.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 78 |
| Polymers | Plastics & Rubber -> Other Monomers |
| Physical Description | Isoprene oxide is a clear colorless liquid. (NTP, 1992)Clear colorless liquid[CAMEO] |
| 沸点 | 79.5-80.5 °C(lit.) |
| 密度 | 0.857 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.416(lit.) |
| 引火点 | 18 °F |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 液体 |
| 色 | 無色 |
| 溶解度 | 水にわずかに溶ける。 |
| BRN | 104216 |
| InChI | 1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3 |
| InChIKey | FVCDMHWSPLRYAB-UHFFFAOYSA-N |
| SMILES | CC1(CO1)C=C |
| CAS データベース | 1838-94-4 |
| EPAの化学物質情報 | Oxirane, 2-ethenyl-2-methyl- (1838-94-4) |
安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 輸送ラベル（DOT） | Combustible Liquid |
| 火災危険 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 健康有害性 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 有害性の概要 | Highly flammableMay polymerize[CAMEO] A skin and strong eye irritant[Sigma-Aldrich MSDS] See 3,4-Epoxy-1-butene. |
| 反応性グループ | Hydrocarbons, Aliphatic Unsaturated |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts. |
| Air and Water Reactions | Highly flammable. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 非火災時の漏出対応 | STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992) |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 1993 3/PG 2 |
| 税関コード | 2910900090 |
| 危険文句（R） | 11-36/37/38 |
| 危険表示 | F,Xi |
| 安全措置（S） | 16-26-36/37/39 |
| 危険等級 | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | II |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
Isoprene monoxide is used as a pharmaceutical intermediate.
一般的な説明
Clear colorless liquid.