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Merck
CN

M26402

Methyl acetoacetate

≥99%

Synonym(s):

3-Oxobutanoic acid methyl ester, Acetoacetic acid methyl ester

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About This Item

Linear Formula:
CH3COCH2COOCH3
CAS Number:
Molecular Weight:
116.12
EC Number:
203-299-8
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
506727
MDL number:
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InChI key

WRQNANDWMGAFTP-UHFFFAOYSA-N

InChI

1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

SMILES string

COC(=O)CC(C)=O

assay

≥99%

autoignition temp.

536 °F

bp

169-170 °C/70 mmHg (lit.)

mp

−80 °C (lit.)

density

1.076 g/mL at 25 °C (lit.)

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Xiao Hu et al.
Proceedings of the National Academy of Sciences of the United States of America, 111(47), 16796-16801 (2014-11-05)
Much remains unknown regarding speciation. Host-pathogen interactions are a major driving force for diversification, but the genomic basis for speciation and host shifting remains unclear. The fungal genus Metarhizium contains species ranging from specialists with very narrow host ranges to
L Sweetman et al.
Biomedical mass spectrometry, 5(3), 198-207 (1978-03-01)
A number of previously unrecognized abnormal metabolites have been identified and quantitated in the urine of a patient with an inherited deficiency of propionyl-CoA carboxylase. These included the isoleucine metabolites 2-methyl-3-hydroxybutyric acid and 2-methylacetoacetic acid. These isomers 3-hydroxyvaleric acid and
B H Robinson et al.
The Journal of pediatrics, 95(2), 228-233 (1979-08-01)
A female child presented at one year of age with a febrile illness and loose stools, then developed severe ketoacidosis with vomiting; an apparent salicylate level of 11 mg/dl was measured. A sibling had died in similar circumstances nine years
S Aramaki et al.
Journal of inherited metabolic disease, 14(1), 63-74 (1991-01-01)
The concentrations of 2-methylacetoacetate, 2-methyl-3-hydroxybutyrate and tiglylglycine were determined by gas chromatography-mass spectrometry in urine collected before and for 8 h after loading with 100 mg of isoleucine per kg of body weight. The sum of 2-methylacetoacetate and 2-butanone, a
Karl Sörelius et al.
Circulation, 130(24), 2136-2142 (2014-11-08)
Mycotic aortic aneurysm (MAA) is a rare and life-threatening disease. The aim of this European multicenter collaboration was to study the durability of endovascular aortic repair (EVAR) of MAA, by assessing late infection-related complications and long-term survival. All EVAR treated

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