8.03605

Diethyl ketone

for synthesis

• 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

Properties

• 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

Description

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

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225 - H319 - H335 - H336
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 44.6 °F
• flash_point_c: 7 °C