HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
17-Octadecynoic acid
17-ODYA · Alkynyl Stearic Acid · Octadec-17-ynoic acid · ODYA · 17-ODA · P450scc · Alkyne-stearic acid · 17-Octadecynoic acid
Identifikatoren & physikalische Daten
| CAS No. | 34450-18-5 |
|---|---|
| Summenformel | C18H32O2 |
| Durchschnittliche Molmasse | 280,4 g/mol |
| Monoisotopische Masse | 280,24023026 g/mol |
| SMILES | C#CCCCCCCCCCCCCCCCC(=O)O |
| InChIKey | DZIILFGADWDKMF-UHFFFAOYSA-N |
| PubChem CID | 1449 |
| ChEMBL | CHEMBL182310 |
| ChEBI | CHEBI:142447 |
| EC No. | 995-921-6 |
| DTXSID | DTXSID50188024 |
Chemische & physikalische Eigenschaften
| XLogP | 7,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 262 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103] |
| Siedepunkt | 400.8±18.0 °C(Predicted) |
| Dichte | 0.922±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at RT |
| Löslichkeit | Soluble to 50 mM in ethanol and to 100 mM in DMSO |
| Aggregatzustand | White solid. |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Farbe | White to off-white |
| InChI | 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20) |
| InChIKey | DZIILFGADWDKMF-UHFFFAOYSA-N |
| SMILES | C#CCCCCCCCCCCCCCCCC(O)=O |
| CAS Datenbank | 34450-18-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
17-ODYA (17-Octadecynoic acid) is a potent suicide inhibitor of LTB4 ω-oxidase.