α-酮异己酸
| α-酮异己酸 | |
|---|---|
| |
| IUPAC名 4-Methyl-2-oxopentanoic acid | |
| 系统名 4-Methyl-2-oxopentanoic acid[1] | |
| 英文名 | α-Ketoisocaproic acid |
| 识别 | |
| CAS号 | 816-66-0 
|
| PubChem | 70 |
| ChemSpider | 69 |
| SMILES |
|
| InChI |
|
| InChIKey | BKAJNAXTPSGJCU-UHFFFAOYAG |
| Beilstein | 1701823 |
| 3DMet | B00066 |
| UN编号 | 3265 |
| EINECS | 212-435-5 |
| ChEBI | 48430 |
| DrugBank | DB03229 |
| KEGG | C00233 |
| MeSH | Alpha-ketoisocaproic+acid |
| IUPHAR配体 | 4656 |
| 性质 | |
| 化学式 | C6H10O3 |
| 摩尔质量 | 130.14 g·mol−1 |
| 密度 | 1.055 g cm−3（20 °C） |
| 熔点 | 8—10 °C（46—50 °F；281—283 K） |
| 沸点 | 85 °C（185 °F；358 K）（13 mmHg） |
| log P | 0.133 |
| pKa | 2.651 |
| pKb | 11.346 |
| 危险性 | |
| 警示术语 | R：R34 |
| 安全术语 | S：S26, S36/37/39, S45 |
| 欧盟分类 |  C
|
| 若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。 | |
参考文献
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