HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
8-Octanlactam
2-Azonanone · Aza-2-cyclononanone · Capryloctam · -Octalactam · Azonan-2-one · Capryllactam · octanolactam · ω-Octalactam
Identifikatoren & physikalische Daten
| CAS No. | 935-30-8 |
|---|---|
| Summenformel | C8H15NO |
| Durchschnittliche Molmasse | 141,21 g/mol |
| Monoisotopische Masse | 141,1153641 g/mol |
| SMILES | O=C1CCCCCCCN1 |
| InChIKey | YDLSUFFXJYEVHW-UHFFFAOYSA-N |
| PubChem CID | 13632 |
| ChEMBL | CHEMBL137132 |
| EC No. | 213-300-3 |
| DTXSID | DTXSID60239450 |
| Lokaler Name | 8-Octanlactam |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 112 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 0.67 |
| Schmelzpunkt | 74-76 °C(lit.) |
| Siedepunkt | 151 °C / 8mmHg |
| Dichte | 0.9938 (rough estimate) |
| Brechungsindex | 1.4811 (estimate) |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| Löslichkeit | Soluble in methanol (almost transparency). |
| pKa (Säurekonstante) | 16.61±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 109775 |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C8H15NO/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10) |
| InChIKey | YDLSUFFXJYEVHW-UHFFFAOYSA-N |
| SMILES | N1CCCCCCCC1=O |
| CAS Datenbank | 935-30-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29337900 |
| RTECS-Nr. | CO1757000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Azacyclononanone has been used as an internal standard liquid chromatography-ultraviolet detection method for the determination of caprolactam in the aqueous food stimulant 3% acetic acid (w/v).