vapor density
3.5 (vs air)
vapor pressure
6 mmHg ( 20 °C)
assay
≥99.3%
autoignition temp.
662 °F
expl. lim.
11.4 %
refractive index
n20/D 1.452 (lit.)
bp
140.4 °C (lit.)
mp
−23 °C (lit.)
density
0.975 g/mL at 25 °C (lit.)
SMILES string
CC(=O)CC(C)=O
InChI
1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI key
YRKCREAYFQTBPV-UHFFFAOYSA-N
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Legal Information
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
95.0 °F - Non-equilibrium method
flash_point_c
35 °C - Non-equilibrium method
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
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Rolando R Lozada-García et al.
Physical chemistry chemical physics : PCCP, 14(10), 3450-3459 (2012-02-07)
The photochemistry of the chelated enol form of acetylacetone (AcAc) was investigated by UV excitation of the S(2) state at 266 nm in parahydrogen matrices, complemented by experiments in neon and normal hydrogen matrices. Infrared (IR) spectroscopy, combined with theoretical
Heaweon Park et al.
Inorganic chemistry, 50(23), 11978-11989 (2011-11-01)
A series of high-spin iron(II) β-diketonato complexes have been prepared and characterized with the intent of modeling the substrate-bound form of the enzyme acetylacetone dioxygenase (Dke1). The Dke1 active site features an Fe(II) center coordinated by three histidine residues in
Adrienne R Diebold et al.
Biochemistry, 49(32), 6945-6952 (2010-08-11)
The oxygen activating mononuclear non-heme ferrous enzymes catalyze a diverse range of chemistry yet typically maintain a common structural motif: two histidines and a carboxylate coordinating the iron center in a facial triad. A new Fe(II) coordinating triad has been
Zhenkun Sun et al.
Journal of the American Chemical Society, 134(42), 17653-17660 (2012-10-02)
The organization of different nano objects with tunable sizes, morphologies, and functions into integrated nanostructures is critical to the development of novel nanosystems that display high performances in sensing, catalysis, and so on. Herein, using acetylacetone as a chelating agent
Hrvoje Brkić et al.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 17(5), 801-815 (2012-04-25)
This study elucidates the role of the protein structure in the catalysis of β-diketone cleavage at the three-histidine metal center of diketone cleaving enzyme (Dke1) by computational methods in correlation with kinetic and mutational analyses. Molecular dynamics simulations, using quantum
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