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Methylpyruvat
METHYL 2-OXOPROPANOATE · Propanoic acid, 2-oxo-, methyl ester · PAME · Methyl acetoformate · ksby · PYR ME · METHYL PYRUVATE · Methyl pyruyate
Identifikatoren & physikalische Daten
| CAS No. | 600-22-6 |
|---|---|
| Summenformel | C4H6O3 |
| Durchschnittliche Molmasse | 102,09 g/mol |
| Monoisotopische Masse | 102,03169405 g/mol |
| SMILES | COC(=O)C(C)=O |
| InChIKey | CWKLZLBVOJRSOM-UHFFFAOYSA-N |
| PubChem CID | 11748 |
| ChEMBL | CHEMBL3185405 |
| ChEBI | CHEBI:51850 |
| EC No. | 209-987-4 |
| DTXSID | DTXSID9049326 |
| Lokaler Name | Methylpyruvat |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 95,1 |
| SpringerMaterials Properties | Chemical shift |
| Aromastoffe | EU Flavoring substances |
| Schmelzpunkt | -22 °C |
| Siedepunkt | 134-137 °C (lit.) |
| Dichte | 1.13 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.404(lit.) |
| Flammpunkt | 103 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | ethanol: soluble1.1g/10 mL, clear, colorless to almost colorlessSoluble in chloroform, methanol, ether, alcohol. Slightly soluble in water. |
| Aggregatzustand | liquid |
| Farbe | Yellow |
| Merck | 14,8021 |
| BRN | 1361953 |
| InChI | 1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3 |
| InChIKey | CWKLZLBVOJRSOM-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C)=O |
| LogP (Verteilungskoeffizient) | -0.159 (est) |
| CAS Datenbank | 600-22-6(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, 2-oxo-, methyl ester(600-22-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (92.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 2-oxo-, methyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 13-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18742Propanoic acid, 2-oxo-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (92.3%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29183000 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 23-24/25-16 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Methyl Pyruvate acts as a potent secretagogue used in the study of stimulus-secretion coupling. Also used in the preparation of quinoxalines as dual phoosphodiesterase 2/10 (PDE2/10) inhibitors. It increases free calcium ion concentration in the cytosol of pancreatic cells. It is used in the preparation of dimethyl 2,3-dimethylenebutanedioate.