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Safety Information

69692

Sigma-Aldrich

3-Buten-2-one

purum, ≥95.0% (GC)

Synonym(s):

Methyl vinyl ketone, Vinyl methyl ketone

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About This Item

Linear Formula:
CH2=CHCOCH3
CAS Number:
78-94-4
Molecular Weight:
70.09
Beilstein:
506021
EC Number:
201-160-6
MDL number:
MFCD00008777
UNSPSC Code:
12352100
PubChem Substance ID:
329761869

vapor density

1.3 (vs air)

Quality Level

200

vapor pressure

310 mmHg ( 55 °C)
71 mmHg ( 20 °C)

grade

purum

Assay

≥95.0% (GC)

form

liquid

contains

~0.5% acetic acid as stabilizer
~0.5% hydroquinone as stabilizer

expl. lim.

15.64 %

impurities

~5% water

refractive index

n20/D 1.411 (lit.)
n20/D 1.412

bp

81 °C (lit.)

density

0.86 g/mL at 20 °C
0.864 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(=O)C=C

InChI

1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3

InChI key

FUSUHKVFWTUUBE-UHFFFAOYSA-N

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Caution

may discolor to brown on storage

Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Dermal - Acute Tox. 1 Inhalation - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B - Skin Sens. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

19.4 °F - closed cup

Flash Point(C)

-7 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

监管及禁止进口产品

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH4515
BCCC5805
BCBZ4970
BCBX0989
BCBS9235V

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Hans von Stedingk et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 878(27), 2491-2496 (2010-04-20)
Adducts to N-terminal valines in Hb have been shown useful as biomarkers of exposure to electrophilic compounds. Adducts from many compounds have earlier been measured with a modified Edman degradation method using a GC-MS/MS method. A recently developed method, the
Hyun Joo Lee et al.
Molecules (Basel, Switzerland), 17(6), 7523-7532 (2012-06-20)
The enantioselective conjugate addition reaction of 3-aryl-substituted oxindoles with methyl vinyl ketone promoted by binaphthyl-modified bifunctional organocatalysts was investigated. The corresponding Michael adducts, containing a quaternary center at the C3-position of the oxindoles, were generally obtained in high yields with
Yonggui Chi et al.
Journal of the American Chemical Society, 130(20), 6322-6323 (2008-04-25)
Non-interpenetrating star polymer catalysts designed to mimic the site isolation characteristics of enzymes enable the one-pot combination of multiple otherwise incompatible catalysts for asymmetric cascade reactions that involve iminium, enamine, and H-bonding catalysis. Control experiments replacing star polymer catalysts with
Palladium-mediated annulation of vinyl aziridines with Michael acceptors: stereocontrolled synthesis of substituted pyrrolidines and its application in a formal synthesis of (-)-α-kainic acid.
Martin A Lowe et al.
Angewandte Chemie (International ed. in English), 50(28), 6370-6374 (2011-06-01)
Laura L Thomas et al.
Journal of the American Chemical Society, 132(9), 3097-3104 (2010-02-13)
Quantum and molecular mechanics calculations for the Diels-Alder reactions of cyclopentadiene with 1,4-naphthoquinone, methyl vinyl ketone, and acrylonitrile have been carried out at the vacuum-water interface and in the gas phase. In conjunction with previous studies of these cycloadditions in
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