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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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
Regulatory Information
危险化学品
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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
Acton A.Q et al.
Issues in Chemistry and General Chemical Research, 2011 (2011)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 127604-18L-CS | 04061837713057 |
| 127604-500ML | 04061838725004 |
| 127604-4L | 04061838724991 |
| 127604-100ML | 04061838724984 |