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Methyl oxirane-2-carboxylate
Methyl oxirane-2-carboxylate · Methyl glycidate · Methyl 2,3-epoxypropionate · Methyl oxiranecarboxylate · Glycidic acid methyl ester · Methyl 2-oxiranecarboxylate · Oxiranecarboxylic acid, Methyl ester · 2-Oxiranecarboxylic acid, methyl ester
識別子と物理属性
| CAS No. | 4538-50-5 |
|---|---|
| 分子式 | C4H6O3 |
| 平均分子量 | 102.09 g/mol |
| 単同位体質量 | 102.03169405 g/mol |
| SMILES | COC(=O)C1CO1 |
| InChIKey | YKNYRRVISWJDSR-UHFFFAOYSA-N |
| PubChem CID | 145751 |
| EC No. | 610-247-1 |
| DTXSID | DTXSID50963378 |
化学・物理的性質
| XLogP | -0.2 |
|---|---|
| 極性表面積 | 38.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 88.9 |
| 融点 | >300°C |
| 沸点 | 97.4±15.0 °C(Predicted) |
| 密度 | 1.246±0.06 g/cm3(Predicted) |
| 貯蔵条件 | -20°C, Inert atmosphere |
| 溶解度 | クロロホルム（微量）、メタノール（微量） |
| 外観・状態 | 個体 |
| 色 | ホワイトからオフホワイト |
| InChI | InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3 |
| InChIKey | YKNYRRVISWJDSR-UHFFFAOYSA-N |
| SMILES | O1CC1C(OC)=O |
安全性と法規制
| GHS 分類 | WarningH226 (100%): Flammable liquid and vapor [Warning 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 輸送番号（UN） | UN1993 |
| 税関コード | 2916200090 |
| 危険等級 | 3 |
用途
使用
Methyl Oxirane-2-carboxylate is an intermediate used in the synthesis of DL-Indole-3-lactic Acid-d5 (I627102), which is the isotope labelled analog of DL-Indole-3-lactic Acid (I627100); a reagent in the synthesis of 2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one which has weak antibacterial activity against 16 bacterial strains, including Escherichia coli, Bacillus subtilis and Staphylococcus aureus. DL-Indole-3-lactic Acid is also used in the preparation of Monatin, a natural sweet peptidomimetic.