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127604 Sigma-Aldrich

3-Pentanone

ReagentPlus®, ≥99.0% (GC)

Synonym: Diethyl ketone

  • CAS Number 96-22-0

  • Linear Formula CH3CH2COCH2CH3

  • Molecular Weight 86.13

  •  Beilstein/REAXYS Number 635749

  •  EC Number 202-490-3

  •  MDL number MFCD00009320

  •  PubChem Substance ID 329749867

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Properties

Related Categories ACS and Reagent Grade Solvents, Amber Glass Bottles, Carbon Steel Flex-Spout Cans, Reagent, Reagent Grade Solvents,
grade   ReagentPlus®
vapor density   3 (vs air)
vapor pressure   20 mmHg ( 28 °C)
  28.1 mmHg ( 20 °C)
InChI Key   FDPIMTJIUBPUKL-UHFFFAOYSA-N
assay   ≥99.0% (GC)
autoignition temp.   845 °F
expl. lim.   0.34-6.3 %
impurities   ≤0.2% water (coulometr.)
refractive index   n20/D 1.392 (lit.)
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

Description

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.

Application

3-Pentanone may be used to evaluate excess molar volumes of its binary mixtures with 1-chloroalkanes at 298.15K and atmospheric pressure.

Packaging

100, 500 mL in glass bottle

18 L in steel drum

4 L in glass bottle

Legal Information

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Supplemental Hazard Statements 
Repeated exposure may cause skin dryness or cracking.
RIDADR 
UN1156 - class 3 - PG 2 - Diethyl ketone
WGK Germany 
1
RTECS 
SA8050000
Flash Point(F) 
44.6 °F
Flash Point(C) 
7 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Dispensette™ S
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

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Peer-Reviewed Papers
15

References

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