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乙酰乙酸乙酯,Ethyl acetoacetate [EAA];puriss. p.a., ≥99.0% (GC)

别名:乙酰醋酸乙酯;Acetoacetic ester, EAA, Ethyl 3-oxobutanoate

CAS号 141-97-9 线性分子式 CH3COCH2COOC2H5 分子量 130.14 Beilstein/REAXYS Number 385838 EINECS 编号 205-516-1 MDL number MFCD00009199 eCl@ss 39022303 PubChem Substance ID 329747065 NACRES NA.22
制造商品牌: 西格玛 Sigma-Aldrich
货号(SKU): 00410
CAS号: 141-97-9
MDL号: MFCD00009199
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£42.25

产品描述

Application

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.[3]
• Michael adducts, via Michael addition reaction with chalcones and azachalcones in the presence of a base catalyst.[4]
• Substituted nicotinic acid derivatives by treating with α, β-unsaturated oximes via Michael addition followed by ring closure reaction.[5]

It can be also utilized as a reactant in the transesterification and asymmetric hydrogenation reactions to produce valuable products.[1][2]

性质

Quality Level  200
vapor density  4.48 (vs air)
vapor pressure  1 mmHg ( 28.5 °C)
grade  puriss. p.a.
assay  ≥99.0% (GC)
autoignition temp.  580 °F
expl. lim.  9.5 %
impurities  ≤0.5% water
refractive index  n20/D 1.419
bp  181 °C (lit.)
mp  −43 °C (lit.)
solubility  water: soluble 130 g/L at 20 °C
density  1.029 g/mL at 20 °C (lit.)
cation traces  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

WGK德国 WGK 1
闪点(华氏) 164.3 °F - closed cup
闪点(摄氏) 73.5 °C - closed cup
商品规格
属性名称属性值
储存温度 Storage temp.常温阴凉避光
全球实时库存 Availability √美国St. Louis ≥ 33 | 欧洲Eur. ≥ 27 | 東京Tokyo ≥ 9 | 香港与北京 ≥ 16
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