4-(3-羟基-3-甲基丁-1-炔-1-基)苯甲醛 基本信息
| 中文名称 | 4-(3-羟基-3-甲基丁-1-炔-1-基)苯甲醛 |
|---|---|
| 中文同义词 | 4-(3-羟基-3-甲基丁-1-炔-1-基)苯甲醛 |
| 英文名称 | TIMTEC-BB SBB010773 |
| 英文同义词 | 4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZALDEHYDE;4-(3-HYDROXY-3-METHYL-BUT-1-YNYL)-BENZALDEHYDE;4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde(SALTDATA: FREE);TIMTEC-BB SBB010773;4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde AldrichCPR;Benzaldehyde, 4-(3-hydroxy-3-methyl-1-butynyl)-;Benzaldehyde, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-;4-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzaldehyde |
| CAS号 | 117569-57-0 |
| 分子式 | C12H12O2 |
| 分子量 | 188.22 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 117569-57-0.mol |
| 结构式 |  |
4-(3-羟基-3-甲基丁-1-炔-1-基)苯甲醛 性质
| 沸点 | 326.5±27.0 °C(Predicted) |
|---|---|
| 密度 | 1.12±0.1 g/cm3(Predicted) |
| 酸度系数(pKa) | 13.20±0.29(Predicted) |
| 形态 | solid |
| InChI | 1S/C12H12O2/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,9,14H,1-2H3 |
| InChIKey | SLKHCIZTANAAEH-UHFFFAOYSA-N |
| SMILES | O=C([H])C1=CC=C(C=C1)C#CC(C)(C)O |