HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Glykolaldehyd
2-hydroxyacetaldehyde · Hydroxyacetaldehyde · glycollaldehyde · Glycoaldehyde · Diose · hydroxyethanal · GLYCOLICALDEHYDE · Acetaldehyde, hydroxy-(9CI)
Identifikatoren & physikalische Daten
| CAS No. | 141-46-8 |
|---|---|
| Summenformel | C2H4O2 |
| Durchschnittliche Molmasse | 60,05 g/mol |
| Monoisotopische Masse | 60,02112937 g/mol |
| SMILES | O=CCO |
| InChIKey | WGCNASOHLSPBMP-UHFFFAOYSA-N |
| PubChem CID | 756 |
| ChEMBL | CHEMBL3884509 |
| ChEBI | CHEBI:17071 |
| EC No. | 205-484-9 |
| DTXSID | DTXSID4074693 |
| Lokaler Name | Glykolaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 18 |
| Stoffklassen | Biological Agents -> Monosaccharides and Derivatives |
| SpringerMaterials Properties | Coriolis coupling |
| Schmelzpunkt | 97 °C97°C |
| Dampfdruck | 4.97 [mmHg] |
| Physical Description | Transparent colorless solid[Merck Index] |
| Siedepunkt | 35.05°C (rough estimate) |
| Dichte | 1.3660 |
| Brechungsindex | 1.4772 |
| pKa (Säurekonstante) | 13.34±0.10(Predicted) |
| Henry-Konstante | 3.9×102 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| LogP (Verteilungskoeffizient) | -1.604 (est) |
| EPA chemische Informationen | Acetaldehyde, hydroxy- (141-46-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Acetaldehyde, hydroxy- |
| Gefahrenübersicht | Causes other changes of the kidney, ureter, and bladder in oral lethal-dose studies of rats[RTECS] May cause irritation[Riedel-de Haen MSDS] |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H317 |
Anwendungen & Verwendung
Verwenden
Glycolaldehyde is derived from 2,2-Diethoxyethanol (D441940), which is used in the synthesis of neooxazolomycin, part of the oxazolomycin family of antibiotics. Also used in the synthesis of pyrimidine based inhibitors of phosphodiesterase 7 (PDE7).