产品介绍：
产品说明
应用
Ethyl acetoacetate can be used as a reactant in the synthesis of:
- Knoevenagel condensation products by reacting with α-alkylideneacetoacetate and aliphatic, aromatic, heteroaromatic aldehydes.
- Michael adducts, via Michael addition reaction with chalcones and azachalcones in the presence of a base catalyst.
- Substituted nicotinic acid derivatives by treating with α, β-unsaturated oximes via Michael addition followed by ring closure reaction.
It can be also utilized as a reactant in the transesterification and asymmetric hydrogenation reactions to produce valuable products.
基本信息
| 线性分子式 | CH3COCH2COOC2H5 |
| 分子量 | 130.14 |
| Beilstein | 385838 |
| EC 号 | 205-516-1 |
| MDL编号 | MFCD00009199 |
| eCl@ss | 39022303 |
| PubChem化学物质编号 | 329747065 |
| NACRES | NA.22 |
产品性质
| 质量水平 | 200 |
| 蒸汽密度 | 4.48 (vs air) |
| 蒸汽压 | 1 mmHg ( 28.5 ℃) |
| 等级 | puriss. p.a. |
| 测定 | ≥99.0% (GC) |
| 自燃温度 | 580 °F |
| expl. lim. | 9.5 % |
| 杂质 | ≤0.5% water |
| 折射率 | n |
| bp | 181 ℃ (lit.) |
| mp | −43 ℃ (lit.) |
| 溶解性 | water: soluble 130 g/L at 20 ℃ |
| 密度 | 1.029 g/mL at 20 ℃ (lit.) |
| 痕量阳离子 | Al: ≤0.5 mg/kg Ba: ≤0.1 mg/kg Bi: ≤0.1 mg/kg Ca: ≤0.5 mg/kg Cd: ≤0.05 mg/kg Co: ≤0.02 mg/kg Cr: ≤0.02 mg/kg Cu: ≤0.02 mg/kg Fe: ≤0.1 mg/kg K: ≤0.5 mg/kg Li: ≤0.1 mg/kg Mg: ≤0.1 mg/kg Mn: ≤0.02 mg/kg Mo: ≤0.1 mg/kg Na: ≤0.5 mg/kg Ni: ≤0.02 mg/kg Pb: ≤0.1 mg/kg Sr: ≤0.1 mg/kg Zn: ≤0.5 mg/kg |
| SMILES string | CCOC(=O)CC(C)=O |
| InChI | 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 |
| InChI key | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
安全信息
| 储存分类代码 | 10 - Combustible liquids |
| WGK | WGK 1 |
| 闪点(F) | 164.3 °F - closed cup |
| 闪点(C) | 73.5 ℃ - closed cup |
| 个人防护装备 | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
