688983
乙酰乙酸乙酯
Arxada quality, ≥99.0% (GC)
别名:
乙酰醋酸乙酯
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线性分子式:
CH3COCH2COOC2H5
化学文摘社编号:
分子量:
130.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
205-516-1
Beilstein/REAXYS Number:
385838
MDL number:
产品名称
乙酰乙酸乙酯, Arxada quality, ≥99.0% (GC)
InChI key
XYIBRDXRRQCHLP-UHFFFAOYSA-N
InChI
1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
SMILES string
CCOC(=O)CC(C)=O
vapor density
4.48 (vs air)
vapor pressure
1 mmHg ( 28.5 °C)
assay
≥99.0% (GC)
form
liquid
autoignition temp.
580 °F
quality
Arxada quality
expl. lim.
9.5 %
manufacturer/tradename
Arxada AG
impurities
≤0.05% water
≤0.10% acid (as acetic acid)
color
APHA: ≤15
bp
180 °C
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.)
Quality Level
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Application
乙酰乙酸乙酯可以：
- 在硼酸存在的情况下与伯醇和仲醇发生酯交换反应。
- 进行微生物还原以形成(S) 3-羟基丁酸乙酯。
- 在氯化镁和吡啶存在的情况下由酰氯进行C-酰化。
- 在水溶性钌-BINAP复合物存在的情况下进行不对称双相催化加氢。
存储类别
10 - Combustible liquids
wgk
WGK 1
flash_point_f
164.3 °F - closed cup
flash_point_c
73.5 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Production of (+)-(S)-Ethyl 3-Hydroxybutyrate and (−)-(R)-Ethyl 3-Hydroxybutyrate by Microbial Reduction of Ethyl Acetoacetate
Wipf B, et al.
Helvetica Chimica Acta, 66(2), 485-488 (1983)
Hydrogenation of ethyl acetoacetate catalyzed by hydrosoluble BINAP derivatives
Lamouille T, et al.
Tetrahedron Letters, 42(4), 663-664 (2001)
Enantioselective catalytic asymmetric hydrogenation of ethyl acetoacetate in room temperature ionic liquids
Berthod M, et al.
Tetrahedron Asymmetry, 15(14), 2219-2221 (2004)
Procedures for the acylation of diethyl malonate and ethyl acetoacetate with acid chlorides using tertiary amine bases and magnesium chloride.
Rathke MW and Cowan PJ.
The Journal of Organic Chemistry, 50(15), 2622-2624 (1985)
Boric acid: an efficient and environmentally benign catalyst for transesterification of ethyl acetoacetate
Kondaiah GCM, et al.
Tetrahedron Letters, 49(1), 106-109 (2008)
商品
Knoevenagel Condensation is an organic reaction named after Emil Knoevenagel. It is a classic C-C bond formation reaction and a modification of the Aldol Condensation.
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