127604
3-戊酮
ReagentPlus®, ≥99.0% (GC)
别名:
二乙基酮
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线性分子式:
CH3CH2COCH2CH3
化学文摘社编号:
分子量:
86.13
EC Number:
202-490-3
UNSPSC Code:
12352115
PubChem Substance ID:
Beilstein/REAXYS Number:
635749
MDL number:
NACRES:
NA.21
Assay:
≥99.0% (GC)
Bp:
101.5 °C (lit.)
Vapor pressure:
20 mmHg ( 28 °C)
28.1 mmHg ( 20 °C)
28.1 mmHg ( 20 °C)
产品名称
3-戊酮, ReagentPlus®, ≥99.0% (GC)
InChI key
FDPIMTJIUBPUKL-UHFFFAOYSA-N
InChI
1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
SMILES string
CCC(=O)CC
vapor density
3 (vs air)
vapor pressure
20 mmHg ( 28 °C)
28.1 mmHg ( 20 °C)
product line
ReagentPlus®
assay
≥99.0% (GC)
form
liquid
autoignition temp.
845 °F
expl. lim.
0.34-6.3 %
dilution
(for general lab use)
impurities
≤0.2% water (coulometr.)
refractive index
n20/D 1.392 (lit.)
pH
6.2 (20 °C, 50 g/L)
bp
101.5 °C (lit.)
mp
−42 °C (lit.)
solubility
water: slightly soluble
density
0.813 g/mL at 25 °C (lit.)
suitability
complies for Proton NMR spectrum
Quality Level
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Application
3-Pentanone may be used to evaluate excess molar volumes of its binary mixtures with 1-chloroalkanes at 298.15K and atmospheric pressure.
General description
3-Pentanone is a 3-alkanone. It undergoes deprotonation on reaction with lithium diisopropylamide (LDA) in THF (solvent) to afford E enolate while the same reaction in THF/HMPT (HMPT = hexamethylphosphoric triamide, THF = tetrahydrofuran) solvent system affords Z enolate. It is widely used as a tracer for planar laser-induced fluorescence (PLIF) studies. Its electron-diffraction patterns and fluorescence quantum yields have been evaluated.
3-Pentanone is a diethyl ketone, which can be obtained as a major product of the condensation of propanol over ceria-zirconia mixed oxides catalyst, CexZr1-xO2.
3-Pentanone is a diethyl ketone, which can be obtained as a major product of the condensation of propanol over ceria-zirconia mixed oxides catalyst, CexZr1-xO2.
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system, Respiratory system
supp_hazards
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
44.6 °F
flash_point_c
7 °C
法规信息
危险化学品
此项目有
Acton A.Q et al.
Issues in Chemistry and General Chemical Research, 2011 (2011)
Role of HMPT and TMEDA in control of enolate stereochemistry for reactions of lithium amides with 3-pentanone.
Fataftah ZA, et al.
Journal of the American Chemical Society, 102(11), 3959-3960 (1980)
VE of binary mixtures containing 3-pentanone or 3-heptanone with 1-chloroalkanes at 298.15 K.
Lorenzana T, et al.
Journal of Chemical and Engineering Data, 39(1), 172-174 (1994)
An electron-diffraction investigation of the molecular structures of acetone, 2-butanone, and 3-pentanone.
Romers C and Creutzberg JEG.
Rec. Trav. Chim., 75(3), 331-345 (1956)
Temperature and excitation wavelength dependencies of 3-pentanone absorption and fluorescence for PLIF applications.
Koch JD and Hanson RK.
Applied Physics B: Lasers and Optics, 76(3), 319-324 (2003)
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