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HCID 18694Erstellt: 27. Oktober 2026

4-(Diethylamino)butan-2-on

4-diethylamino-2-butanon · 4-DIETHYLAMINO-2-BUTANONE · 1-DIETHYLAMINO-3-BUTANONE · 1-(Diethylamino)butan-3-one · 4-(Diethylamino)butane-2-one · 2-Butanone,4-(diethylamino)- · 1-Diethylamino-3-butanone 98% · 4-(N,N-Diethylamino)butan-2-one

https://huagongshe.com/de/chemical/18694

Molekülstruktur von 4-(Diethylamino)butan-2-on

Identifikatoren & physikalische Daten

CAS No.3299-38-5
SummenformelC8H17NO
Durchschnittliche Molmasse143,23 g/mol
Monoisotopische Masse143,13101417 g/mol
SMILESCCN(CC)CCC(C)=O
InChIKeyXLEOCTUCGZANAC-UHFFFAOYSA-N
PubChem CID18694
EC No.221-970-3
DTXSIDDTXSID50186621
Lokaler Name4-(Diethylamino)butan-2-on

Chemische & physikalische Eigenschaften

XLogP0,7
Polarare Oberfläche (TPSA)20,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen5
Schwere Atome10
Formalladung0
Komplexität97,4
SpringerMaterials PropertiesBoiling point
Schmelzpunkt82-84 °C
Siedepunkt76-78 °C/16 mmHg (lit.)
Dichte0.86 g/mL at 25 °C (lit.)
Brechungsindexn20/D 1.433(lit.)
Flammpunkt110 °F
pKa (Säurekonstante)9.79±0.25(Predicted)
Aggregatzustandliquid
InChI1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3
InChIKeyXLEOCTUCGZANAC-UHFFFAOYSA-N
SMILESCCN(CC)CCC(C)=O
CAS Datenbank3299-38-5

Sicherheit & Vorschriften

GHS-EinstufungWarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 1224 3/PG 3
RTECS-Nr.EL7525000
R-Sätze (R)10-36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)16-26-36/37/39
Gefahrenklasse3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
VerpackungsgruppeIII
Lagerklasse3 - Flammable liquids

Anwendungen & Verwendung

Verwenden

1-Diethylamino-3-butanone was used in total synthesis of several steroidal hydrochrysene derivatives.