HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Octadec-9-insure
OCTADEC-9-YNOIC ACID · 9-octadecynoic acid · STEAROLIC ACID · 9-stearolic acid · Stearolicacid,98% · 9-hydroxy-3-methyl-1H-benzo[g]quinoline-2,5,10-trione
Identifikatoren & physikalische Daten
| CAS No. | 506-24-1 |
|---|---|
| Summenformel | C18H32O2 |
| Durchschnittliche Molmasse | 280,4 g/mol |
| Monoisotopische Masse | 280,24023026 g/mol |
| SMILES | CCCCCCCCC#CCCCCCCCC(=O)O |
| InChIKey | RGTIBVZDHOMOKC-UHFFFAOYSA-N |
| PubChem CID | 68167 |
| ChEMBL | CHEMBL482804 |
| ChEBI | CHEBI:28801 |
| EC No. | 208-030-8 |
| DTXSID | DTXSID90198647 |
| Lokaler Name | Octadec-9-insure |
Chemische & physikalische Eigenschaften
| XLogP | 6,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 282 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103] |
| SpringerMaterials Properties | Magnetic anisotropy |
| Schmelzpunkt | 46-47°C |
| Siedepunkt | 189-190°C 2mm |
| Dichte | 0.9365 (rough estimate) |
| Brechungsindex | 1.4283 (estimate) |
| Flammpunkt | 189-190°C/2mm |
| Lagerbedingungen | -20°C |
| pKa (Säurekonstante) | 4.77±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| Löslichkeit | Insoluble in water. |
| BRN | 1786634 |
| InChI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20) |
| InChIKey | RGTIBVZDHOMOKC-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCC#CCCCCCCCC |
| NIST chemische Informationen | 9-Octadecynoic acid(506-24-1) |
Sicherheit & Vorschriften
| Regulatorische Informationen | 9-Octadecynoic acid: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Verwenden
9-Octadecynoic Acid, is used as an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.