688983
Ethyl acetoacetate
Arxada quality, ≥99.0% (GC)
Synonym(s):
Acetoacetic ester
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About This Item
Linear Formula:
CH3COCH2COOC2H5
CAS Number:
Molecular Weight:
130.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
205-516-1
Beilstein/REAXYS Number:
385838
MDL number:
Assay:
≥99.0% (GC)
Form:
liquid
vapor density
4.48 (vs air)
Quality Level
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.)
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
Application
Ethyl acetoacetate can undergo:
- Transesterification with primary and secondary alcohols in the presence of boric acid.
- Microbial reduction to form (S)-ethyl 3-hydroxybutyrate.
- C-acylation by acid chlorides in the presence of magnesium chloride and pyridine.
- Asymmetric biphasic catalytic hydrogenation in the presence of a water-soluble ruthenium-BINAP complex.
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Storage Class
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
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Hydrogenation of ethyl acetoacetate catalyzed by hydrosoluble BINAP derivatives
Lamouille T, et al.
Tetrahedron Letters, 42(4), 663-664 (2001)
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)
Boric acid: an efficient and environmentally benign catalyst for transesterification of ethyl acetoacetate
Kondaiah GCM, et al.
Tetrahedron Letters, 49(1), 106-109 (2008)