127604
3-Pentanone
ReagentPlus®, ≥99.0% (GC)
Synonym(s):
Diethyl ketone
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About This Item
Linear Formula:
CH3CH2COCH2CH3
CAS Number:
Molecular Weight:
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)
vapor density
3 (vs air)
Quality Level
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
SMILES string
CCC(=O)CC
InChI
1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChI key
FDPIMTJIUBPUKL-UHFFFAOYSA-N
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.
Application
3-Pentanone may be used to evaluate excess molar volumes of its binary mixtures with 1-chloroalkanes at 298.15K and atmospheric pressure.
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system, Respiratory system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
44.6 °F
flash_point_c
7 °C
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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)
Jon D Koch et al.
Applied optics, 43(31), 5901-5910 (2004-11-16)
We measured fluorescence quantum yields of acetone and 3-pentanone as a pure gas and with nitrogen diluent at room temperature at 20, 507, and 1013 mbar using 248, 266, and 308 nm excitation by calibrating the optical collection system with