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	n20/D 1.419
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