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Methyl acetoacetate

Name: Methyl acetoacetate
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

329761198

EC Number:

203-299-8

Beilstein/REAXYS Number:

506727

MDL number:

MFCD00008784

Assay:

≥99% (GC)

Form:

liquid

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Properties

Quality Level

100

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

Description

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pictograms

GHS05

signalword

Danger

hcodes

H318

pcodes

P280 - P305 + P351 + P338

Hazard Classifications

Eye Dam. 1

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

158.0 °F - closed cup

flash_point_c

70 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number

1410543

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Urinary excretion of 2-methylacetoacetate, 2-methyl-3-hydroxybutyrate and tiglylglycine after isoleucine loading in the diagnosis of 2-methylacetoacetyl-CoA thiolase deficiency.

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

Enantioselective reduction of carbonyl compounds by whole-cell biotransformation, combining a formate dehydrogenase and a (R)-specific alcohol dehydrogenase.

Marianne Ernst et al.

Applied microbiology and biotechnology, 66(6), 629-634 (2004-11-19)

A whole-cell biotransformation system for the reduction of prochiral carbonyl compounds, such as methyl acetoacetate, to chiral hydroxy acid derivatives [methyl (R)-3-hydroxy butanoate] was developed in Escherichia coli by construction of a recombinant oxidation/reduction cycle. Alcohol dehydrogenase from Lactobacillus brevis

Acetoacetyl CoA thiolase deficiency: a cause of severe ketoacidosis in infancy simulating salicylism.

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

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