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Ethylglyoxylat
Ethyl 2-oxoacetate · ETHYL GLYOXYLATE · Oxoacetic acid ethyl ester · ETHYL OXOACETATE · GLYOXYLIC ACID ETHYL ESTER · Ethyl glyoxylate, 50% solution in toluene · 2-Oxoacetic acid ethyl ester · ETHYL GLYOXALATE
Identifikatoren & physikalische Daten
| CAS No. | 924-44-7 |
|---|---|
| Summenformel | C4H6O3 |
| Durchschnittliche Molmasse | 102,09 g/mol |
| Monoisotopische Masse | 102,03169405 g/mol |
| SMILES | CCOC(=O)C=O |
| InChIKey | DBPFRRFGLYGEJI-UHFFFAOYSA-N |
| PubChem CID | 70211 |
| ChEBI | CHEBI:53275 |
| EC No. | 213-105-3 |
| DTXSID | DTXSID6061282 |
| Lokaler Name | Ethylglyoxylat |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 77 |
| Siedepunkt | 110°C |
| Dichte | 1.03 g/mL at 20 °C |
| Brechungsindex | 1.4750 |
| Flammpunkt | 7°C |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, Ethyl AcetateImmiscible with water. |
| Aggregatzustand | Oil |
| Farbe | Clear Colorless |
| BRN | 1209486 |
| InChI | InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3 |
| InChIKey | DBPFRRFGLYGEJI-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C=O |
| CAS Datenbank | 924-44-7(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, oxo-, ethyl ester (924-44-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (75%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P333+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 12 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18142 |
| Hazard Classes and Categories | Flam. Liq. 2 (75%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1294 3/PG 2 |
| Zollcode | 29183000 |
| R-Sätze (R) | 11-38-43-48/20-63-65-67 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 36/37-62-16 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Ethyl glyoxylate is widely used as an intermediate in the synthesis of pharmaceuticals (high reactivity of aldehyde function). It is used in the synthesis of a biodegradable polymer, poly(ethyl glyoxylate). It is actively involved in the Friedel-Crafts alkylation reactions with thiophenes to give the corresponding secondary alcohols.