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Merck
CN

69692

3-丁烯-2-酮

purum, ≥95.0% (GC)

别名:

丁烯酮, 甲基乙烯基酮

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线性分子式:
CH2=CHCOCH3
化学文摘社编号:
分子量:
70.09
EC Number:
201-160-6
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
506021
MDL number:
Assay:
≥95.0% (GC)
Form:
liquid
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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

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

储存时可变为褐色

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

存储类别

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

法规信息

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历史批次信息供参考:

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Paul Schweiger et al.
Applied microbiology and biotechnology, 80(6), 995-1006 (2008-07-17)
Three cytosolic NADPH-dependent flavin-associated proteins (Gox2107, Gox0502, and Gox2684) from Gluconobacter oxydans 621H were overproduced in Escherichia coli, and the recombinant enzymes were purified and characterized. Apparent native molecular masses of 65.2, 78.2, and 78.4 kDa were observed for Gox2107
Richard M LoPachin et al.
Toxicological sciences : an official journal of the Society of Toxicology, 98(2), 561-570 (2007-05-24)
Conjugated Type-2 alkenes, such as acrylamide (ACR), are soft electrophiles that produce neurotoxicity by forming adducts with soft nucleophilic sulfhydryl groups on proteins. Soft-soft interactions are governed by frontier molecular orbital characteristics and can be defined by quantum mechanical parameters
Christopher J Martyniuk et al.
Chemical research in toxicology, 24(12), 2302-2311 (2011-11-17)
α,β-Unsaturated carbonyls make up an important class of chemicals involved in environmental toxicity and disease processes. Whereas adduction of cysteine residues on proteins is a well-documented reaction of these chemicals, such a generic effect cannot explain the molecular mechanism of
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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