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Diethylcarbonat
ETHYL CARBONATE · EUFIN · Diethylcarbonat · CED · 2-CHLORO-N,N-DIETHYLAMINE HYDROCHLORIDE · TGFB · progressive · Diethyl carbote
Identifikatoren & physikalische Daten
| CAS No. | 105-58-8 |
|---|---|
| Summenformel | C5H10O3 |
| Durchschnittliche Molmasse | 118,13 g/mol |
| Monoisotopische Masse | 118,06299418 g/mol |
| SMILES | CCOC(=O)OCC |
| InChIKey | OIFBSDVPJOWBCH-UHFFFAOYSA-N |
| PubChem CID | 7766 |
| ChEMBL | CHEMBL1533495 |
| ChEBI | CHEBI:173463 |
| EC No. | 203-311-1 |
| DTXSID | DTXSID3025041 |
| Lokaler Name | Diethylcarbonat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 62 |
| Schmelzpunkt | -43 °C (lit.) |
| Siedepunkt | 126-128 °C (lit.) |
| Dichte | 0.975 g/mL at 25 °C (lit.) |
| Dampfdichte | 4.1 (vs air) |
| Dampfdruck | 10 mm Hg ( 23.8 °C) |
| Brechungsindex | n20/D 1.384(lit.) |
| Flammpunkt | 88 °F |
| Lagerbedingungen | no restrictions. |
| Löslichkeit | 18.8mg/l insolubleNegligible |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| Geruch | Pleasant, etheralmild and nonresidual. |
| pH | 6.3 (1g/l, H2O) |
| Explosionsgrenze | 1.4-11.0%(V) |
| Biologische Quelle | mouse |
| Merck | 14,3780 |
| BRN | 956591 |
| Henry-Konstante | 1.0×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Dielektrizitätskonstante | 2.8(Ambient) |
| Stabilität | Stable. Flammable. Incompatible with strong acids, strong bases, reducing agents, oxidizing agents. Protect from moisture. |
| InChI | 1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3 |
| InChIKey | OIFBSDVPJOWBCH-UHFFFAOYSA-N |
| SMILES | O=C(OCC)OCC |
| LogP (Verteilungskoeffizient) | 1.21 at 25℃ |
| Oberflächenspannung | 29.2 mN/m at 273.18K |
| CAS Datenbank | 105-58-8(CAS DataBase Reference) |
| NIST chemische Informationen | Carbonic acid, diethyl ester(105-58-8) |
| EPA chemische Informationen | Diethyl carbonate (105-58-8) |
Sicherheit & Vorschriften
| F | 21 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2366 |
| Zollcode | 2920 90 10 |
| RTECS-Nr. | YE1050000 |
| R-Sätze (R) | 23/24/25-36/37/38-10 |
| Toxizität | LD50 orally in Rabbit: > 4900 mg/kgLC50 (inhalation) > 21 mg/kg (mouse)TDL0 500 mg/kg (mouse)LD50 (s.c.) 8500 mg/kg (rat) |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 26-36-45-16-23 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 105-58-8(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 445 °C |
Herstellung & Synthese
synthetische
Diethyl carbonate is prepared by reaction of phosgene and ethyl alcohol to produce ethyl chlorocarbonate followed by reaction with anhydrous ethylalcohol at elevated temperatures. direct synthesis of diethyl carbonate (dec) by carboxylation of ethanol with co2 was investigated over ceria catalysts.