688886
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:
Molecular Weight:
116.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-299-8
Beilstein/REAXYS Number:
506727
MDL number:
Assay:
≥99% (GC)
Form:
liquid
Quality Level
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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signalword
Danger
hcodes
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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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