HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl 6,8-dichlorooctanoate
6,8-DICHLOROOCTANOATE · 6,8-Dichlorooctanoic acid ethyl ester · ETHYL-6,8-DICHLOROOCTANATE · 6,8-DICHLOROETHYLCAPRYLATE · ETHYL 6,8-DICHLORO CAPRYLATE · 6,8-DICHLOROOCTANOIC ACID ETHYL ESTER(EDCO) · Ethyl 6,8-Octanate · Ethyl 6,8-dichlorooc
Identifikatoren & physikalische Daten
| CAS No. | 1070-64-0 |
|---|---|
| Summenformel | C10H18Cl2O2 |
| Durchschnittliche Molmasse | 241,15 g/mol |
| Monoisotopische Masse | 240,06838518 g/mol |
| SMILES | CCOC(=O)CCCCC(Cl)CCCl |
| InChIKey | RFYDWSNYTVVKBR-UHFFFAOYSA-N |
| PubChem CID | 14053 |
| EC No. | 435-080-1 |
| DTXSID | DTXSID30910209 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 151 |
| Siedepunkt | 109 °C(Press: 0.7 Torr) |
| Dichte | 1.107 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless to Pale Yellow |
| InChI | InChI=1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3 |
| InChIKey | RFYDWSNYTVVKBR-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CCCCC(Cl)CCCl |
| CAS Datenbank | 1070-64-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| Regulatorische Informationen | REACH registered substance: Ethyl 6,8-dichlorooctanoate (EC: 435-080-1) |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Skin sensitisation - category 1 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3082 9 / PGIII |
| R-Sätze (R) | 36/37/38-51/53-43 |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 26-36-61-37-24 |
Anwendungen & Verwendung
Verwenden
6,8-Dichlorooctanoic Acid Ethyl Ester is an industrial toxin as well as an intermediate product of lipoic acid synthesis.