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127604

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
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)
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vapor density

3 (vs air)

Quality Segment

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 %

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.

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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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 1 petroleums + Hazardous rank II + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

127604-18L-CS:4.548174013649E12 + 127604-100ML:4.548173928487E12 + 127604-20L:4.548173928494E12 + 127604-500ML:4.548173928517E12 + 127604-4L:4.5481739285E12

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