HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
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
Identifikatoren & physikalische Daten
| CAS No. | 4538-50-5 |
|---|---|
| Summenformel | C4H6O3 |
| Durchschnittliche Molmasse | 102,09 g/mol |
| Monoisotopische Masse | 102,03169405 g/mol |
| SMILES | COC(=O)C1CO1 |
| InChIKey | YKNYRRVISWJDSR-UHFFFAOYSA-N |
| PubChem CID | 145751 |
| EC No. | 610-247-1 |
| DTXSID | DTXSID50963378 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 88,9 |
| Schmelzpunkt | >300°C |
| Siedepunkt | 97.4±15.0 °C(Predicted) |
| Dichte | 1.246±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C, Inert atmosphere |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChI | InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3 |
| InChIKey | YKNYRRVISWJDSR-UHFFFAOYSA-N |
| SMILES | O1CC1C(OC)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | 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%) |
| UN-Transportnummer | UN1993 |
| Zollcode | 2916200090 |
| Gefahrenklasse | 3 |
Anwendungen & Verwendung
Verwenden
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.