HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-3-oxotetradecanoat
3-Ketomyristic acid methyl ester · Orlistat Impurity 61 · Metyl lauroyl acetate · Methyl β-KetoMyristate · Methyl b-ketomyristate · Methyl Lauroyl Acetate · Methyl 3-oxotetradecanoate · METHYL 3-KETOTETRADECANOATE
Identifikatoren & physikalische Daten
| CAS No. | 22348-97-6 |
|---|---|
| Summenformel | C15H28O3 |
| Durchschnittliche Molmasse | 256,38 g/mol |
| Monoisotopische Masse | 256,20384476 g/mol |
| SMILES | CCCCCCCCCCCC(=O)CC(=O)OC |
| InChIKey | DTBSXIIDKUOHEN-UHFFFAOYSA-N |
| PubChem CID | 89670 |
| EC No. | 244-929-1 |
| DTXSID | DTXSID10176881 |
| Lokaler Name | Methyl-3-oxotetradecanoat |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 224 |
| Schmelzpunkt | 29-30°C |
| Siedepunkt | 137-139 °C(Press: 0.9 Torr) |
| Dichte | 0.926±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.65±0.46(Predicted) |
| Farbe | Light Yellow to Yellow |
| LogP (Verteilungskoeffizient) | 5.500 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Methyl 3-Oxotetradecanoate (cas# 22348-97-6) is a compound useful in organic synthesis.