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化合物简介

3-Pentanone (also known as diethyl ketone) is a simple, symmetrical dialkyl ketone. It is a colorless liquid ketone with an odor like that of acetone. It is soluble in about 25 parts water, but miscible with organic solvents. It is mainly used as a solvent in paint and a precursor to vitamin E. It is easily soluble in diethyl ether and partially soluble in acetone, methanol, and water. Two related and more important ketones are 2-pentanone and methyl isopropyl ketone.

基本信息

CAS:96-22-0
中文别名:二乙基甲酮;1,3-二甲基丙酮;3-戊酮;
英文别名:dimethyl acetal of 3-hydroxyisovaleric aldehyde;PENTANONE (3-) (AKA DEK);DIETHYL KETONE FOR SYNTHESIS;2-Butanol,4,4-dimethoxy-2-methyl;3-hydroxy-3-methylbutanal dimethyl acetal;dimethylacetal of 3-methyl-3-hydroxy butyraldehyde;DIETHYL KETONE (3-PENTANONE);ethyl ketone;DIETHYLKETONE;DIETHYL KETONE;3-PENTANON;4,4-Dimethoxy-2-methyl-2-butanol;3-PENTANOL;diethylketone;3-hydroxy-isovaleraldehyde dimethyl acetal;3-Pentanone;3-PENTANONE/DIETHYL KETONE;3-hydroxy-isovaleraldehyd dimethyl acetale;dimethylacetone;3-hydroxyisovaleric aldehyde dimethyl acetal;
分子式:C5H10O
分子量:86.1323
精确质量:86.0732
Psa:17.07
Logp:1.3755

编号系统

UNII:9SLZ98M9NK

物化性质

外观与性状:无色至淡黄色液体
密度:0.815
沸点:101.5°C(lit.)
熔点:-40 °C
闪点:55°F
折射率:n20/D 1.392(lit.)
水溶解性:50 g/L (20 ºC)
稳定性:Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.
储存条件:库房通风低温干燥,与氧化剂分开存放
蒸汽密度:3 (vs air)
蒸汽压:20 mm Hg ( 28 °C)

安全信息

RTECS号:SA8050000
安全说明:S9-S16-S25-S33
危险类别码:R11; R37; R66; R67
WGK Germany:1
危险品运输编码:UN 1156 3/PG 2
海关编码:2914190090
危险类别:3
包装等级:II
危险品标志:F
信号词:Danger
危险性防范说明:P210; P305 + P351 + P338; P370 + P378; P403 + P235
危险标志:GHS02, GHS07
危险性描述:H225; H319; H335; H336
补充危害声明:反复暴露可能引起皮肤干燥或开裂。

生产方法及用途

生产方法
1.由3-戊醇氧化而得。氧化反应在90℃进行,反应后进行过滤,然后分馏收集101-104℃馏分,即为成品。 用作溶剂,也是药物合成的中间体。
用途
用作溶剂,也是药物合成的中间体。

合成路线

上游原料

下游产品

图谱

Predict 1H proton NMR


13C NMR : Predict


1H NMR : Predict


13C NMR : in CDCl3


1H NMR : 400 MHz in CDCl3


Mass


IR : liquid film


IR : CCl4 solution


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