HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(±)-13-Ethyl-3-methoxygona-2,5(10)-dien-17β-ol
Einecs 213-860-9 · Levonorgestrel EP IMP Q · Levonorgestrel IMpurity Q · Levonorgestrel Impurity 36 · Levonorgestrel EP impurity Q · 13-Ethyl-3-methoxygona-2,5(10)-dien-17β-ol · (?-13-ethyl-3-methoxygona-2,5(10)-dien-17?-ol · dl-3-methoxy-13β-ethylgona-2,5(10)-dien-17β-ol
Identifikatoren & physikalische Daten
| CAS No. | 1038-28-4 |
|---|---|
| Summenformel | C20H30O2 |
| Durchschnittliche Molmasse | 302,5 g/mol |
| SMILES | CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2O)CC(OC)=CC4 |
| InChIKey | DKGAZBPXLWEBPI-SLHNCBLASA-N |
| PubChem CID | 101950 |
| EC No. | 213-860-9 |
| DTXSID | DTXSID201035668 |
| Lokaler Name | (±)-13-Ethyl-3-methoxygona-2,5(10)-dien-17β-ol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 518 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 117-121 °C |
| Siedepunkt | 449.5±45.0 °C(Predicted) |
| Dichte | 1.09±0.1 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 25℃ |
| pKa (Säurekonstante) | 15.04±0.60(Predicted) |
| Löslichkeit | 6mg/L at 25℃ |
| LogP (Verteilungskoeffizient) | 6.21 at 25℃ |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16804 |
| Hazard Classes and Categories | Aquatic Chronic 1 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H410 |
Anwendungen & Verwendung
Verwenden
13-Ethyl-3-methoxygona-2,5(10)-dien-17β-ol is a steroid used in the total synthesis of (-)-norgestrel a progestin medication. Levonorgestrel impurity.