127604

3-Pentanone

ReagentPlus^®, ≥99.0% (GC)

• Synonym(s): Diethyl ketone
• Linear Formula: CH₃CH₂COCH₂CH₃
• CAS Number: 96-22-0
• Molecular Weight: 86.13
• Beilstein/REAXYS Number: 635749
• EC Number: 202-490-3
• MDL number: MFCD00009320
• UNSPSC Code: 12352115
• PubChem Substance ID: 329749867
• assay: ≥99.0% (GC)
• bp: 101.5 °C (lit.)
• vapor pressure: 20 mmHg ( 28 °C); 28.1 mmHg ( 20 °C)

Properties

• 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

Description

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, Ce_xZr_1-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

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 - STOT SE 3
• target_organs: Central nervous system, Respiratory system
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 44.6 °F
• flash_point_c: 7 °C