化工社化工社 化学情報印刷レポート · 研究参考用
イソプロペニルメチルエーテル
イソプロペニルメチルエーテル · メチルα-メチルビニルエーテル · 2-メトキシプロペン · 2-メトキシ-2-プロペン · メチルイソプロペニルエーテル · (1-メチルエテニル)メチルエーテル · メチル(1-メチルエテニル)エーテル · メチル1-プロペン-2-イルエーテル
識別子と物理属性
| CAS No. | 116-11-0 |
|---|---|
| 分子式 | C4H8O |
| 平均分子量 | 72.11 g/mol |
| 単同位体質量 | 72.05751487 g/mol |
| SMILES | C=C(C)OC |
| InChIKey | YOWQWFMSQCOSBA-UHFFFAOYSA-N |
| PubChem CID | 8300 |
| EC No. | 204-125-3 |
| DTXSID | DTXSID3051591 |
| 現地名 | イソプロペニルメチルエーテル |
化学・物理的性質
| XLogP | 1.2 |
|---|---|
| 極性表面積 | 9.2 |
| 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 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 38 |
| 蒸気圧 | 517.0 [mmHg]27.96 psi ( 55 °C) |
| Physical Description | Liquidbp = 34-36 deg C[MSDSonline] |
| Kovats Retention Index | 482483 |
| 融点 | 25°C |
| 沸点 | 34-36 °C (lit.) |
| 密度 | 0.753 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.382(lit.) |
| 引火点 | −21 °F |
| 貯蔵条件 | 2-8°C |
| 溶解度 | クロロホルム無視できる |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| pH | 7 (H2O) |
| BRN | 1734635 |
| InChI | 1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3 |
| InChIKey | YOWQWFMSQCOSBA-UHFFFAOYSA-N |
| SMILES | COC(C)=C |
| LogP（分配係数） | 1.7 at 21℃ and pH8.1-8.4 |
| CAS データベース | 116-11-0(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Propene, 2-methoxy-(116-11-0) |
| EPAの化学物質情報 | 1-Propene, 2-methoxy- (116-11-0) |
化学的特性
clear colorless liquid
安全性と法規制
| GHS 分類 | DangerH224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H412 (22.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/109971-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | May form explosive peroxidesAn irritant[MSDSonline] |
| Hazard Classes and Categories | Flam. Liq. 1 (100%)Acute Tox. 4 (100%)Aquatic Chronic 3 (22.1%) |
| Toxicity Data | LCLo (rat) = 64,000 ppm/4h |
| F | 8-10 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UD0800000 |
| 輸送番号（UN） | UN 1993 3/PG 1 |
| 毒性 | rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. |
| 税関コード | 29091990 |
| 危険文句（R） |
用途
使用
2-Methoxypropene is used in the synthesis of Macrolactin A, a 24-member macrolide typically employed as an antibiotic. Also used in the synthesis of phenylalanine derivatives used as α4β1 and α4β7 receptor antagonists in the treatment of allergic asthma.