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688886

Sigma-Aldrich

Methyl acetoacetate

Arxada quality, ≥99% (GC)

Synonym(s):

3-Oxobutanoic acid methyl ester, Acetoacetic acid methyl ester

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About This Item

Linear Formula:
CH3COCH2COOCH3
CAS Number:
105-45-3
Molecular Weight:
116.12
Beilstein:
506727
EC Number:
203-299-8
MDL number:
MFCD00008784
UNSPSC Code:
12352100
PubChem Substance ID:
329761198
NACRES:
NA.22

Assay

≥99% (GC)

form

liquid

autoignition temp.

536 °F

quality

Arxada quality

manufacturer/tradename

Arxada AG

impurities

≤0.10% acid (as acetic acid)
≤0.10% water

color

APHA: ≤20

refractive index

n20/D 1.419 (lit.)

bp

169-170 °C/70 mmHg (lit.)

mp

−80 °C (lit.)

density

1.076 g/mL at 25 °C (lit.)

SMILES string

COC(=O)CC(C)=O

InChI

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

InChI key

WRQNANDWMGAFTP-UHFFFAOYSA-N

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Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H318

Precautionary Statements

P280 - P305 + P351 + P338

Hazard Classifications

Eye Dam. 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

158.0 °F - closed cup

Flash Point(C)

70 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
Solvej Siedler et al.
Applied microbiology and biotechnology, 93(4), 1459-1467 (2011-10-18)
Optimization of yields and productivities in reductive whole-cell biotransformations is an important issue for the industrial application of such processes. In a recent study with Escherichia coli, we analyzed the reduction of the prochiral β-ketoester methyl acetoacetate by an R-specific
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
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