HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 3-hydroxypentanoate
methyl 3-hydroxypentanoate · 3-Hydroxyvaleric acid methyl ester · 3-Hydroxypentanoic acid methyl ester · Pentanoic acid,3-hydroxy-,methyl ester · Pentanoic acid methyl ester / Methyl-3-hydroxypentanoate
Identifikatoren & physikalische Daten
| CAS No. | 56009-31-5 |
|---|---|
| Summenformel | C6H12O3 |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,07864424 g/mol |
| SMILES | CCC(O)CC(=O)OC |
| InChIKey | XHFXKKFVUDJSPJ-UHFFFAOYSA-N |
| PubChem CID | 538804 |
| DTXSID | DTXSID70337118 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 90 |
| Kovats Retention Index | 15401552 |
| Löslichkeit | Dichloromethane, Ethyl Acetate, Methanol |
| Aggregatzustand | Oil |
| Farbe | Clear Colorless |
| LogP (Verteilungskoeffizient) | -0.019 (est) |
Sicherheit & Vorschriften
| Alarmwort | Warnung |
|---|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Methyl 3-Hydroxypentanoate is an intermediate in synthesizing rac-3-Hydroxypentanoic acid (H949470), one of the fifteen organic acids that are prominent in the urine of a patient undergoing methylmalonic acidosis. rac-3-Hydroxypentanoic acid is also a useful synthetic intermediate that is used in the fine chemical and pharmaceutical industries.