1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)- 基本信息
| 中文名称 | 1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)- |
|---|---|
| 中文同义词 | 化合物 1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butano |
| 英文名称 | 1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)- |
| 英文同义词 | 1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)-;1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butanone >=95% (LC/MS-UV);1-?(3-?Ethyl-?2,?4-?dihydroxy-?6-?methoxyphenyl)?-1-butanone;1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butano |
| CAS号 | 159686-24-5 |
| 分子式 | C13H18O4 |
| 分子量 | 238.28 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 159686-24-5.mol |
| 结构式 |  |
1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)- 性质
| 沸点 | 390.3±22.0 °C(Predicted) |
|---|---|
| 密度 | 1.147±0.06 g/cm3(Predicted) |
| 储存条件 | -20°C |
| 溶解度 | DMSO: 1mg/mL |
| 酸度系数(pKa) | 7.58±0.45(Predicted) |
| 形态 | solid |
| 主要应用 | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C13H18O4/c1-4-6-9(14)12-11(17-3)7-10(15)8(5-2)13(12)16/h7,15-16H,4-6H2,1-3H3 |
| InChIKey | GRQAKVFPDMDUIF-UHFFFAOYSA-N |
| SMILES | OC1=C(C(O)=CC(OC)=C1C(CCC)=O)CC |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |