Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
글리시드산메틸에스테르
글리시드산메틸에스테르 · Methyl oxirane-2-carboxylate · Methyl glycidate · Methyl 2,3-epoxypropionate · Methyl oxiranecarboxylate · Glycidic acid methyl ester · Methyl 2-oxiranecarboxylate · Oxiranecarboxylic acid, Methyl ester
식별자 및 물리적 특성
| CAS No. | 4538-50-5 |
|---|---|
| 분자식 | C4H6O3 |
| 평균 분자량 | 102.09 g/mol |
| 단동위원소 질량 | 102.03169405 g/mol |
| SMILES | COC(=O)C1CO1 |
| InChIKey | YKNYRRVISWJDSR-UHFFFAOYSA-N |
| PubChem CID | 145751 |
| EC No. | 610-247-1 |
| DTXSID | DTXSID50963378 |
| 현지명 | 글리시드산메틸에스테르 |
화학 및 물리적 성질
| XLogP | -0.2 |
|---|---|
| 극성 표면적 | 38.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 88.9 |
| 녹는점 | >300°C |
| 끓는 점 | 97.4±15.0 °C(Predicted) |
| 밀도 | 1.246±0.06 g/cm3(Predicted) |
| 저장 조건 | -20°C, Inert atmosphere |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| InChI | InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3 |
| InChIKey | YKNYRRVISWJDSR-UHFFFAOYSA-N |
| SMILES | O1CC1C(OC)=O |
안전 및 규제
| GHS 분류 | 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%) |
| 운송 번호(UN) | UN1993 |
| 관세 코드 | 2916200090 |
| 위험 등급 | 3 |
용도
용도
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.