00410

アセト酢酸エチル

puriss. p.a., ≥99.0% (GC)

• 別名: アセト酢酸エステル
• 化学式: CH₃COCH₂COOC₂H₅
• CAS番号: 141-97-9
• 分子量: 130.14
• Beilstein: 385838
• EC Number: 205-516-1
• MDL番号: MFCD00009199
• UNSPSCコード: 12352100
• eCl@ss: 39022303
• PubChem Substance ID: 329747065
• NACRES: NA.22

特性

• 蒸気密度: 4.48 (vs air)
• 品質水準: 200
• 蒸気圧: 1 mmHg ( 28.5 °C)
• グレード: puriss. p.a.
• アッセイ: ≥99.0% (GC)
• 自己発火温度: 580 °F
• expl. lim.: 9.5 %
• 不純物: ≤0.5% water
• 屈折率: n20/D 1.419
• bp: 181 °C (lit.)
• mp: −43 °C (lit.)
• 溶解性: water: soluble 130 g/L at 20 °C
• 密度: 1.029 g/mL at 20 °C (lit.)
• 微量陽イオン: 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
• 官能基: ester; ketone
• SMILES記法: 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

詳細

アプリケーション

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.

安全性情報

• 保管分類コード: 10 - Combustible liquids
• WGK: WGK 1
• 引火点(°F): 164.3 °F - closed cup
• 引火点(℃): 73.5 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Gloves, type ABEK (EN14387) respirator filter