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5-Ethyl-2-furaldehyd
5-Ethylfurfural · 5-ETHYL-2-FURALDEHYD · ASISCHEM D29263 · 5-Ethyl-2-furfural · TIMTEC-BB SBB010056 · Furfural Impurity 20 · Furfural Impurity 34 · 5-ETHYL-2-FURALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 23074-10-4 |
|---|---|
| Summenformel | C7H8O2 |
| Durchschnittliche Molmasse | 124,14 g/mol |
| Monoisotopische Masse | 124,0524295 g/mol |
| SMILES | CCc1ccc(C=O)o1 |
| InChIKey | XADGZBXFWQHBDB-UHFFFAOYSA-N |
| PubChem CID | 89989 |
| EC No. | 245-411-8 |
| DTXSID | DTXSID80177643 |
| Lokaler Name | 5-Ethyl-2-furaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 101 |
| Siedepunkt | 79-81 °C/12 mmHg (lit.) |
| Dichte | 1.055 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.522(lit.) |
| Flammpunkt | 150 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | liquid |
| Wichte | 1.055 |
| BRN | 1982 |
| InChI | 1S/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3 |
| InChIKey | XADGZBXFWQHBDB-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(CC)o1 |
| LogP (Verteilungskoeffizient) | 1.179 (est) |
| CAS Datenbank | 23074-10-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 | Flam. Liq. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29321900 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
5-Ethyl-2-furaldehyde was used in the synthesis of N-(tert-butoxycarbonyl)-3-(benzoxazol-5-yl)alanine methyl ester derivatives.