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14610

Supelco

Methyl acetoacetate

analytical standard

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/REAXYS Number:
506727
EC Number:
203-299-8
MDL number:
MFCD00008784
UNSPSC Code:
41116107
PubChem Substance ID:
329750551
NACRES:
NA.24

grade

analytical standard

Quality Level

100

assay

≥99.5% (GC)

autoignition temp.

536 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.419 (lit.)
n20/D 1.419

bp

169-170 °C/70 mmHg (lit.)

mp

−80 °C (lit.)

density

1.076 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

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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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H318

Hazard Classifications

Eye Dam. 1

Storage Class

10 - Combustible liquids

wgk_germany

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
BCCK4403
BCCF5230
BCCD0604
BCCB9326
BCBZ4064

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Sigma-Aldrich

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M Giorgi et al.
Journal of veterinary pharmacology and therapeutics, 41(3), 428-436 (2018-01-21)
Metamizole (MT), an analgesic and antipyretic drug, is rapidly hydrolyzed to the active primary metabolite 4-methylaminoantipyrine (MAA) and relatively active secondary metabolite 4-aminoantipyrine (AA). The aim of this study was to assess the pharmacokinetic profiles of MAA and AA after
Enantioselective hydrogenation of methyl acetoacetate catalyzed by nickel supported on activated carbon or graphite.
Wolfson, A., et al.
Applied Catalysis A: General, 208.1, 91-98 (2001)
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
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
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