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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3084847Erstellt: 23. Oktober 2026

Ethyl-2-acetyl-4-oxovalerat

ethyl 2-acetyl-4-oxovalerate · ETHYL 2-ACETYL-4-OXOPENTANOATE · ETHYL N-HEXA-2,5-DIONE-3-CARBOXYLATE · 2-Acetyl-4-oxovaleric acid ethyl ester · 2-Acetyl-4-oxopentanoic acid ethyl ester · Pentanoic acid, 2-acetyl-4-oxo-, ethyl ester · Ethyl 2-ethanoyl-4-oxopentanoate, 3-(Ethoxycarbonyl)hexane-2,5-dione

https://huagongshe.com/de/chemical/3084847

Molekülstruktur von Ethyl-2-acetyl-4-oxovalerat

Identifikatoren & physikalische Daten

CAS No.41892-81-3
SummenformelC9H14O4
Durchschnittliche Molmasse186,2 g/mol
Monoisotopische Masse186,08920893 g/mol
SMILESCCOC(=O)C(CC(C)=O)C(C)=O
InChIKeyWANUOLLLVOSMFL-UHFFFAOYSA-N
PubChem CID3084847
EC No.255-582-0
DTXSIDDTXSID50962043
Lokaler NameEthyl-2-acetyl-4-oxovalerat

Chemische & physikalische Eigenschaften

XLogP0
Polarare Oberfläche (TPSA)60,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen6
Schwere Atome13
Formalladung0
Komplexität220
Siedepunkt126-128 °C(Press: 14 Torr)
Dichte1.062±0.06 g/cm3(Predicted)
pKa (Säurekonstante)10.65±0.59(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Zollcode2918300090
R-Sätze (R)36
GefahrensymboleXi
hazard_noteIrritant
Sicherheitshinweise (S)26