159686-24-5
中文名称
1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)-
英文名称
1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)-
CAS
159686-24-5
分子式
C13H18O4
分子量
238.28
MOL 文件
159686-24-5.mol
结构式
基本信息
中文别名
英文别名
1-Butanone, 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)-
1-?(3-?Ethyl-?2,?4-?dihydroxy-?6-?methoxyphenyl)?-1-butanone
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-butanone >=95% (LC/MS-UV)
物理化学性质
| 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 |
安全数据
| WGK Germany | WGK 3 |
| 存储类别 | 11 - Combustible Solids |