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2-Furaldehyd-diethylacetal
2-(Diethoxymethyl)furan · SKL1170 · 2-(diethoxymethyl)-fura · furfural diethyl acetal · 2-(diethoxymethyl)furane · Furan, 2-(diethoxymethyl)- · 2-FURALDEHYDE DIETHYL ACETAL · 2-FuraldehydeDiethylAcetal>2-FURALDEHYDE DIETHYL ACETAL 98%
Identifikatoren & physikalische Daten
| CAS No. | 13529-27-6 |
|---|---|
| Summenformel | C9H14O3 |
| Durchschnittliche Molmasse | 170,21 g/mol |
| Monoisotopische Masse | 170,09429431 g/mol |
| SMILES | CCOC(OCC)c1ccco1 |
| InChIKey | SEILDMUKBMYIEZ-UHFFFAOYSA-N |
| PubChem CID | 83553 |
| ChEBI | CHEBI:34769 |
| EC No. | 236-872-6 |
| DTXSID | DTXSID10864418 |
| Lokaler Name | 2-Furaldehyd-diethylacetal |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 31,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 110 |
| Siedepunkt | 189-191 °C (lit.) |
| Dichte | 1.008 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.444(lit.) |
| Flammpunkt | 148 °F |
| Lagerbedingungen | 0-6°C |
| Aggregatzustand | clear liquid |
| Wichte | 1.008 |
| Farbe | White to Yellow to Green |
| Geruch | at 100.00 %. fruity earthy mushroom |
| Geruchsart | fruity |
| InChI | 1S/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3 |
| InChIKey | SEILDMUKBMYIEZ-UHFFFAOYSA-N |
| SMILES | CCOC(OCC)c1ccco1 |
| LogP (Verteilungskoeffizient) | 2.272 (est) |
| CAS Datenbank | 13529-27-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Furaldehyde diethyl acetal(13529-27-6) |
| EPA chemische Informationen | Furan, 2-(diethoxymethyl)- (13529-27-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Furan, 2-(diethoxymethyl)-Regulation (EC) No 178/2002 (amended)REACH registered substance: 2-furaldehyde-diethylacetal (EC: 236-872-6)Furan, 2-(diethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29321900 |
| RTECS-Nr. | LU0585000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Furaldehyde diethyl acetal was used in the synthesis of:5-pyridyl- and 5-aryl-2-furaldehydes via Palladium-mediated cross-coupling reaction11-oxatricyclo [5.3. 1.02, 6] undecane derivatives