Skip to Content
Merck
CN

14610

Methyl acetoacetate

analytical standard

Synonym(s):

3-Oxobutanoic acid methyl ester, Acetoacetic acid methyl ester

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
CH3COCH2COOCH3
CAS Number:
105-45-3
Molecular Weight:
116.12
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329750551
EC Number:
203-299-8
Beilstein/REAXYS Number:
506727
MDL number:
MFCD00008784

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

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

grade

analytical standard

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

Quality Level

100

refractive index

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

Looking for similar products? Visit Product Comparison Guide

Application

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

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H318

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCK4403
BCCF5230
BCCD0604
BCCB9326
BCBZ4064

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)
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
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
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
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
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service