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127604

Sigma-Aldrich

3-Pentanone

ReagentPlus®, ≥99.0% (GC)

Synonym(s):

Diethyl ketone

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About This Item

Linear Formula:
CH3CH2COCH2CH3
CAS Number:
96-22-0
Molecular Weight:
86.13
Beilstein:
635749
EC Number:
202-490-3
MDL number:
MFCD00009320
UNSPSC Code:
12352115
PubChem Substance ID:
329749867

vapor density

3 (vs air)

Quality Level

100

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 %

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

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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.

Legal Information

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H335,H336

Hazard Classifications

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

Target Organs

Central nervous system, Respiratory system

Supplementary Hazards

EUH066

WGK

WGK 1

Flash Point(F)

44.6 °F

Flash Point(C)

7 °C

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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)
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)
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