Skip to Content
Merck

127604

3-Pentanone

ReagentPlus®, ≥99.0% (GC)

Synonym(s):

Diethyl ketone

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
CH3CH2COCH2CH3
CAS Number:
96-22-0
Molecular Weight:
86.13
EC Number:
202-490-3
UNSPSC Code:
12352115
PubChem Substance ID:
329749867
Beilstein/REAXYS Number:
635749
MDL number:
MFCD00009320
NACRES:
NA.21
Assay:
≥99.0% (GC)
Bp:
101.5 °C (lit.)
Vapor pressure:
20 mmHg ( 28 °C)
28.1 mmHg ( 20 °C)

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

3-Pentanone, 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

100

Looking for similar products? Visit Product Comparison Guide

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.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system, Respiratory system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

44.6 °F

flash_point_c

7 °C

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCW6333
MKCT8143
STBK9908
STBL0052
STBK3463

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
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)
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)
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service