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Merck
CN

69692

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
EC Number:
201-160-6
UNSPSC Code:
12352100
PubChem Substance ID:
329761869
Beilstein/REAXYS Number:
506021
MDL number:
MFCD00008777
Assay:
≥95.0% (GC)
Form:
liquid

Key Documents

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InChI key

FUSUHKVFWTUUBE-UHFFFAOYSA-N

InChI

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

SMILES string

CC(=O)C=C

vapor density

1.3 (vs air)

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

Quality Level

200

refractive index

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

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Disclaimer

may discolor to brown on storage

signalword

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

19.4 °F - closed cup

flash_point_c

-7 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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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Grant R Krow et al.
The Journal of organic chemistry, 72(9), 3458-3466 (2007-03-31)
Diene substituent effects on the regiochemical and stereochemical outcomes of uncatalyzed Diels-Alder reactions of N-alkoxycarbonyl-1,2-dihydropyridines with both styrene and methyl vinyl ketone (MVK) were studied. Alkyl substitution on the diene in all cases examined resulted in a kinetic preference for
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
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
Kavita De et al.
The Journal of organic chemistry, 74(16), 6260-6265 (2009-07-23)
1,4-Addition of anilines onto Michael acceptors proceeds easily in specific polar protic solvents, without any promoting agent. According to the solvent and to the electrophile, the selectivity of the reaction can be finely tuned. With methyl acrylate as electrophile, only
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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