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4-Hydroxybutyraldehyd
4-Hydroxybutanal · 4-Hydroxybutana · Einecs 247-205-3 · Butanal, 4-hydroxy- · 4-hydroxybutyraldehyde · gamma-Hydroxybutyraldehyde · 4-hydroxybutanal Basic information · 4-Hydroxybutanal and 2-Hydroxytetrahydrofuran
Identifikatoren & physikalische Daten
| CAS No. | 25714-71-0 |
|---|---|
| Summenformel | C4H8O2 |
| Durchschnittliche Molmasse | 88,11 g/mol |
| Monoisotopische Masse | 88,0524295 g/mol |
| SMILES | O=CCCCO |
| InChIKey | PIAOXUVIBAKVSP-UHFFFAOYSA-N |
| PubChem CID | 93093 |
| EC No. | 247-205-3 |
| DTXSID | DTXSID1067128 |
| Lokaler Name | 4-Hydroxybutyraldehyd |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 34,5 |
| Siedepunkt | 103.07°C (rough estimate) |
| Dichte | 1.0808 |
| Brechungsindex | 1.4384 |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 14.89±0.10(Predicted) |
| Farbe | Colourless |
| Stabilität | Hygroscopic |
| EPA chemische Informationen | Butanal, 4-hydroxy- (25714-71-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
4-Hydroxybutanal is used in preparation of deoxykeoses and acetonides. 4-Hydroxybutanal is also a metabolite of Tegafur , a prodrug used for various cancer chemotherapies.