8.03605

Diethyl ketone

for synthesis

• Synonyme(s) : Diethyl ketone, 3-Pentanone, Ethyl ketone
• Formule linéaire : (C₂H₅)₂CO
• Numéro CAS: 96-22-0
• Poids moléculaire : 86.13
• UNSPSC Code: 12352115
• EC Index Number: 202-490-3
• NACRES: NA.22
• MDL number: MFCD00009320
• Assay: ≥99% (GC)
• Grade: synthesis grade
• Bp: 101-103 °C/1013 mbar
• Vapor pressure: 37.6 hPa ( 20 °C)

Propriétés

• grade: synthesis grade
• Quality Segment: 200
• vapor pressure: 37.6 hPa ( 20 °C)
• 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)
• dilution: (for synthesis)
• 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
• SMILES string: O=C(CC)CC
• 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

Informations sur la sécurité

• 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
• Classe de stockage: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 44.6 °F
• flash_point_c: 7 °C