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8.03605

Sigma-Aldrich

Diethyl ketone

for synthesis

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Synonym(s):
Diethyl ketone, 3-Pentanone, Ethyl ketone
Linear Formula:
(C2H5)2CO
CAS Number:
96-22-0
Molecular Weight:
86.13
MDL number:
MFCD00009320
UNSPSC Code:
12352115
EC Index Number:
202-490-3
NACRES:
NA.22

vapor pressure

37.6 hPa ( 20 °C)

Quality Level

200

Assay

≥99% (GC)

form

liquid

autoignition temp.

425 °C

potency

2900 mg/kg LD50, oral (Rat)
16200 mg/kg LD50, skin (Rabbit)

expl. lim.

1.6-7.7 % (v/v)

pH

6.2 (20 °C, 50 g/L in H2O)

bp

101-103 °C/1013 mbar

mp

-40 °C

transition temp

flash point 7 °C

solubility

50 g/L

density

0.81 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

InChI key

FDPIMTJIUBPUKL-UHFFFAOYSA-N

Application


  • Resonance Stabilization Effects on Ketone Autoxidation: Isomer-Specific Cyclic Ether and Ketohydroperoxide Formation in the Low-Temperature (400-625 K) Oxidation of Diethyl Ketone.: This study examines the low-temperature oxidation of diethyl ketone, highlighting how resonance stabilization influences the formation of specific cyclic ethers and ketohydroperoxides, vital for understanding combustion mechanisms and environmental implications of ketone use in industrial applications (Scheer AM et al., 2016).

  • Low-temperature combustion chemistry of novel biofuels: resonance-stabilized QOOH in the oxidation of diethyl ketone.: This research focuses on the combustion chemistry of diethyl ketone as a biofuel, providing insights into the formation of resonance-stabilized QOOH intermediates which are crucial for developing more efficient and cleaner burning fuels (Scheer AM et al., 2014).

  • Wet effluent diffusion denuder technique and determination of volatile organic compounds in air. I. Oxo compounds (alcohols and ketones).: Explores the use of diethyl ketone in air quality monitoring, employing a novel wet effluent diffusion denuder technique for the sensitive detection of oxo compounds, vital for environmental monitoring and regulatory compliance (Pesková J et al., 2001).

  • Identification limits for volatile organic compounds in the blood by purge-and-trap GC-FTIR.: Discusses the detection limits of volatile organic compounds, including diethyl ketone, in blood using advanced purge-and-trap gas chromatography coupled with Fourier-transform infrared spectroscopy, emphasizing its importance in forensic and toxicological analyses (Ojanperä I et al., 1998).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.813 - 0.815
Identity (IR): passes test

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225 - H319 - H335 - H336

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Supplementary Hazards

EUH066

Storage Class Code

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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