HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethylsuberat
ETHYL SUBERATE · Diethylsuberat · Suberic acid d · Diethyl suberate · DiethylSuberate>iethyloctanedioate · DIETHYL OCTANEDIOATE · Diethyl suberate,98% · octyldiacidiethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 2050-23-9 |
|---|---|
| Summenformel | C12H22O4 |
| Durchschnittliche Molmasse | 230,3 g/mol |
| Monoisotopische Masse | 230,15180918 g/mol |
| SMILES | CCOC(=O)CCCCCCC(=O)OCC |
| InChIKey | PEUGOJXLBSIJQS-UHFFFAOYSA-N |
| PubChem CID | 16301 |
| EC No. | 218-084-4 |
| DTXSID | DTXSID90174486 |
| Lokaler Name | Diethylsuberat |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 179 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 5 °C |
| Siedepunkt | 282 °C(lit.) |
| Dichte | 0.982 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.432(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 1785500 |
| LogP (Verteilungskoeffizient) | 2.901 (est) |
| CAS Datenbank | 2050-23-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Octanedioic acid, diethyl esterOctanedioic acid, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29171900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
Anwendungen & Verwendung
Verwenden
Diethyl suberate is one of the volatile components in alcoholic beverages (such as mango wines and Chinese rice wines). Diethyl suberate is also one of the components included in the topical vehicle used to administer Emedastine (E521520) transdermally.