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  • 2-甲基四氢呋喃-3-酮

    2-methyloxolan-3-one

化合物简介

Coffee furanone (2-methyltetrahydrofuran-3-one) is a pleasant smelling liquid furan derivative which is a volatile constituent of the aroma complex of roasted coffee. Coffee furanone is less odorous than furfuryl mercaptan, which with an odor threshold of 0.005 ppb was the first high impact aroma chemical, but has a very pleasant sweet caramel character, with some nuttiness.

基本信息

CAS:3188-00-9
中文别名:2-甲基二氢-3(2H)-呋喃酮;2-甲基四氢呋喃酮-3;4,5-二氢-2-甲基-3(2H)-呋喃酮;2-甲基四氢-3-呋喃酮;面包酮;
英文别名:Dihydro-2-methyl-3-furanone;2-Methyltetrahydrofuran-3-One;2-Methyl tetrahydro-3-furanone;Tetrahydro-2-methylfuran-3-one;4,5-Dihydro-2-methyl-3(2H)-furanone;2-methyltetrahydrofuran-3-one;2-Methyl-3-oxotetrahydrofuran;2-Methyltetrahydro-3-furanone (4,5-Dihydro-2-methyl-3(2H)-furanone;2-methyltetrahydro-3-furanone;2-Methyl-2H-furan-3-one;2-methyl-4,5-dihydro-3-furanone;2-Methyltetrahydro-3-furanone;
分子式:C5H8O2
分子量:100.116
精确质量:100.052
Psa:26.3
Logp:0.3643

编号系统

MDL号:MFCD00010423

物化性质

外观与性状:无色至淡黄色液体
密度:1.034g/mLat 25°C(lit.)
沸点:139°C(lit.)
闪点:103°F
折射率:n20/D 1.429(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame.

安全信息

RTECS号:LU3579000
安全说明:S16-S26-S36/37/39-S24/25
危险类别码:R36/37/38
WGK Germany:3
海关编码:2932190090
危险品运输编码:UN 1224 3/PG 3
危险类别:3
包装等级:III
危险品标志:Xi
信号词:Warning
危险标志:GHS02, GHS07
危险性描述:H226; H302

生产方法及用途

生产方法
1. 以乳酸乙酯与丙烯酸甲酯为主要原料用相转移催化法在室温离子液体中经过缩合和酸性水解合成制得2-甲基-4-甲酯四氢呋喃-3-酮。 用作香料的原料及用于有机合成 。
用途
用作香料的原料及用于有机合成 。

合成路线

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图谱

Predict 1H proton NMR


13C NMR : Predict


1H NMR : Predict


13C NMR : in CDCl3


1H NMR : 400 MHz in CDCl3


Mass spectrum (electron ionization)


Mass


IR : liquid film


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