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676926

Sigma-Aldrich

2-Butanone

ACS reagent, ≥99.0%

Synonym(s):

Ethyl methyl ketone, MEK, Methyl ethyl ketone

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About This Item

Linear Formula:
C2H5COCH3
CAS Number:
78-93-3
Molecular Weight:
72.11
Beilstein/REAXYS Number:
741880
EC Number:
201-159-0
MDL number:
MFCD00011648
UNSPSC Code:
12352115
eCl@ss:
39021202
PubChem Substance ID:
329760661
NACRES:
NA.21

grade

ACS reagent

vapor density

2.49 (vs air)

vapor pressure

71 mmHg ( 20 °C)

assay

≥99.0%

form

liquid

autoignition temp.

960 °F

expl. lim.

10.1 %

impurities

≤0.0005 meq/g Titr. acid
≤0.20% water

evapn. residue

≤0.0025%

color

APHA: ≤15

refractive index

n20/D 1.379 (lit.)

bp

80 °C (lit.)

mp

−87 °C (lit.)

density

0.805 g/mL at 25 °C (lit.)

SMILES string

CC(CC)=O

InChI

1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

InChI key

ZWEHNKRNPOVVGH-UHFFFAOYSA-N

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General description

2-Butanone is a ketone. Physical properties of the solutions of 1-n-butyl-3-methylimidazolium tetrafluoroborate (ionic liquid) in various organic solvents (acetonitrile, dichloromethane, 2-butanone and N,N-dimethylformamide) has been studied. Viscosity and density of these mixtures were evaluated at 298.15K.

Application

2-Butanone (Methyl ethyl ketone) may be employed as solvent for the methylation agent [11C]methyl trifluoromethanesulfonate ([11C]CH3OTf), during the completely automated radiosynthesis of 2-(4-N-[11C]methylaminophenyl)-6-hydroxybenzothiazole ([11C]PIB). It may be used in the synthesis of nanocontainer composed of 6 bowl-shaped cavitands. In the nanocontainer, cavitands were joined by 12 -CH=N-CH2CH2-N=CH- linkers.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

30.2 °F - closed cup

flash_point_c

-1 °C - closed cup

Certificates of Analysis (COA)

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A volumetric and viscosity study for the mixtures of 1-n-butyl-3-methylimidazolium tetrafluoroborate ionic liquid with acetonitrile, dichloromethane, 2-butanone and N, N-dimethylformamide.
Wang J, et al.
Green Chemistry, 5(5), 618-622 (2003)
C Philippe et al.
Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine, 69(9), 1212-1217 (2011-05-10)
[(11)C]PIB is still the standard PET compound for Alzheimer imaging targeting beta-amyloid plaques. We aimed to establish a fully-automated procedure for the synthesis and purification of [(11)C]PIB with a high degree of reliability and improved specific activity as well as
A simple one-pot multicomponent synthesis of an octahedral nanocontainer molecule.
Liu X and Warmuth R.
Nature Protocols, 2(5), 1288-1296 (2007)
S G Carmella et al.
Cancer research, 53(4), 721-724 (1993-02-15)
Metabolites of the tobacco-specific nitrosamine, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, a potent pulmonary carcinogen, have been quantified in the urine of 11 smokers. They were not detected in nonsmokers' urine. The metabolites, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and its glucuronide, were detected in quantities of 0.23-1.0 and 0.57-6.5
L B Goldsmith et al.
Contact dermatitis, 19(5), 348-350 (1988-11-01)
Irritant contact dermatitis along with an increased transepidermal water loss can result from exposing the skin to solvents. A study of the interaction of various solvents with human stratum corneum was made using thin-layer chromatography. Comparison of 10 solvents (trichloroethylene
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