HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzyl-3-hydroxypropionat
Benzyl 3-Hydroxypropanoate · Einecs 238-453-3 · benzyl 3-hydroxypropionate · Hydracrylic Acid Benzyl Ester · 3-Hydroxypropanoic acid phenylmethyl ester · Propanoic acid, 3-hydroxy-, phenylmethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 14464-10-9 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | O=C(CCO)OCc1ccccc1 |
| InChIKey | RDRDBYYUPACJJT-UHFFFAOYSA-N |
| PubChem CID | 84459 |
| EC No. | 238-453-3 |
| DTXSID | DTXSID0065773 |
| Lokaler Name | Benzyl-3-hydroxypropionat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 150 |
| Siedepunkt | 315.5±17.0 °C(Predicted) |
| Dichte | 1.153±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| pKa (Säurekonstante) | 14.32±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless to Pale Yellow |
| InChI | InChI=1S/C10H12O3/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
| InChIKey | RDRDBYYUPACJJT-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=CC=C1)(=O)CCO |
| EPA chemische Informationen | Propanoic acid, 3-hydroxy-, phenylmethyl ester (14464-10-9) |
Sicherheit & Vorschriften
| TSCA-Inventar-Status | TSCA listed |
|---|---|
| Zollcode | 2918199890 |
Anwendungen & Verwendung
Verwenden
Intermediate in the production of Cyclophosphamide metabolites.