HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(1-~13~C)Octadecanoic acid
STEARIC ACID 13C · STEARIC 1-13C ACID · STEARIC ACID (1-13C) · Octadecanoic Acid-13C · Stearophanic Acid-13C · Cetylacetic acid-1-13C · n-Octadecanoic Acid-13C · Stearophanic acid-1-13C
Identifikatoren & physikalische Daten
| CAS No. | 85541-42-0 |
|---|---|
| Summenformel | C18H36O2 |
| Durchschnittliche Molmasse | 285,5 g/mol |
| Monoisotopische Masse | 285,27488522 g/mol |
| SMILES | CCCCCCCCCCCCCCCCC[13C](=O)O |
| InChIKey | QIQXTHQIDYTFRH-CPZJZEHKSA-N |
| PubChem CID | 16211897 |
| EC No. | 693-109-3 |
| DTXSID | DTXSID70583512 |
Chemische & physikalische Eigenschaften
| XLogP | 7,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 16 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 202 |
| Schmelzpunkt | 68-70 °C(lit.) |
| Siedepunkt | 361 °C(lit.) |
| Dichte | 0.888±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Flammpunkt | 113℃ |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White |
| InChI | 1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i18+1 |
| InChIKey | QIQXTHQIDYTFRH-CPZJZEHKSA-N |
| SMILES | CCCCCCCCCCCCCCCCC[13C](O)=O |
| CAS Number Unlabeled | 57-11-4 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38-38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Stearic Acid-1-13C (cas# 85541-42-0) is a compound useful in organic synthesis.