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化合物简介
3-Butyn-1-ol is an unsaturated alcohol that is used as a reagent to synthesize Kainic acid, a neuroexcitatory and neurotoxic analogue of glutamate that is utilized as a means to selectively lesion neuronal cell bodies. 3-Butyn-1-ol is also an important intermediate to prepare a variety of natural products in food and cosmetic industries.
基本信息
CAS:927-74-2
中文别名:(2-羟乙基)乙炔;1-丁炔-4-醇;
英文别名:4-Hydroxy-1-butyne;homopropargylic alcohol;1-Butyn-4-ol;3-Butyn-1-ol;3-Butynol;4-hydroxy-butyne;3-Butynyl alcohol;1-butyn-3-ol;ethynylmethyl carbinol;homopropargyl alcohol;3-BUTYN-1-OL;2-Hydroxyethylacetylene;3-Butyne-1-ol;
分子式:C4H6O
分子量:70.0898
精确质量:70.0419
Psa:20.23
Logp:0.002
中文别名:(2-羟乙基)乙炔;1-丁炔-4-醇;
英文别名:4-Hydroxy-1-butyne;homopropargylic alcohol;1-Butyn-4-ol;3-Butyn-1-ol;3-Butynol;4-hydroxy-butyne;3-Butynyl alcohol;1-butyn-3-ol;ethynylmethyl carbinol;homopropargyl alcohol;3-BUTYN-1-OL;2-Hydroxyethylacetylene;3-Butyne-1-ol;
分子式:C4H6O
分子量:70.0898
精确质量:70.0419
Psa:20.23
Logp:0.002
编号系统
MDL号:MFCD00002955
物化性质
外观与性状:透明液体
密度:0.926g/mLat 25°C(lit.)
沸点:128.9°C(lit.)
熔点:−63.6°C(lit.)
闪点:97°F
折射率:n20/D 1.441(lit.)
稳定性:Stable. Substances to be avoided include oxidizing agents, acids and acid anhydrides, copper and copper alloys. Flammable.
储存条件:Flammables area
密度:0.926g/mLat 25°C(lit.)
沸点:128.9°C(lit.)
熔点:−63.6°C(lit.)
闪点:97°F
折射率:n20/D 1.441(lit.)
稳定性:Stable. Substances to be avoided include oxidizing agents, acids and acid anhydrides, copper and copper alloys. Flammable.
储存条件:Flammables area
安全信息
RTECS号:ES0710000
安全说明:S26-S36-S37/39-S16
WGK Germany:3
危险类别码:R10; R36/37/38
危险品运输编码:UN 1986 3/PG 3
海关编码:29052990
危险类别:3
包装等级:III
危险品标志:Xi
危险标志:GHS02, GHS07
信号词:Warning
危险性描述:H226; H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
安全说明:S26-S36-S37/39-S16
WGK Germany:3
危险类别码:R10; R36/37/38
危险品运输编码:UN 1986 3/PG 3
海关编码:29052990
危险类别:3
包装等级:III
危险品标志:Xi
危险标志:GHS02, GHS07
信号词:Warning
危险性描述:H226; H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
生产方法及用途
用途
非索非那定中间体。
非索非那定中间体。
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
