HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl 3-(furan-3-yl)-3-oxopropanoate
ETHYL-3-FUROYL-ACETATE · ethyl β-oxo-3-furanpropionate · ETHYL BETA-OXO-3-FURANPROPIONATE · Ethyl 3-(3-furyl)-3-oxopropanoate · Ethyl 3-(3-furyl)-3-oxopropionate · 2-[3-furanyl(oxo)methyl]butanoate · Ethyl 3-oxo-3-(3-furyl)propionate · Ethyl 3-(fur-3-yl)-3-oxopropanoate
Identifikatoren & physikalische Daten
| CAS No. | 36878-91-8 |
|---|---|
| Summenformel | C9H10O4 |
| Durchschnittliche Molmasse | 182,17 g/mol |
| Monoisotopische Masse | 182,0579088 g/mol |
| SMILES | CCOC(=O)CC(=O)c1ccoc1 |
| InChIKey | OVPIQFGJQAQWAJ-UHFFFAOYSA-N |
| PubChem CID | 336409 |
| ChEMBL | CHEMBL413269 |
| EC No. | 842-893-7 |
| DTXSID | DTXSID00319785 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 56,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 200 |
| Siedepunkt | 113-116 °C/4 mmHg (lit.) |
| Dichte | 1.153 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.489(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| InChI | 1S/C9H10O4/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6H,2,5H2,1H3 |
| InChIKey | OVPIQFGJQAQWAJ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CC(=O)c1ccoc1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29321900 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl β-oxo-3-furanpropionate has been used in the synthesis of deuterated 4-ipomeanol.