4-METHYL-2-PENTANONE >=99% (C005B-006656)

General description

4-Methyl-2-pentanone (Methyl isobutyl ketone, MIBK), an aliphatic ketone, is commonly used as an organic solvent. It is generally used as an extractant in atomic absorption spectrometry. Preparation of MIBK using 2-propanol as the precursor has been reported with yield as high as 25%. The rate constant for the reaction between OH radical and MIBK was found to be 1.40 ± 0.07×10¹¹cm³molecule^-1s^-1. The kinetics and mechanism of photochemical reaction of MIBK in n-hexane solution has been studied. The microwave spectrum of MIBK has been recorded to obtain its rotational constants and centrifugal distortion constants.

Application

4-Methyl-2-pentanone may be used to prepare (R)-(-)-4-methyl-2-pentanol via asymmetric hydrogenation in the presence of silica-supported starch-polysulfosiloxane-platinum complex (SiO₂-ST-Si-S-Pt).

Molecular Weight: 100.16. Empirical Formula: C₆H₁₂O. linearFormula: (CH₃)₂CHCH₂COCH₃. vapor density: 3.5 (vs air). Quality Level: 100. vapor pressure: 15.7 mmHg . Assay: ≥. 99%. form: liquid. autoignition temp.: 840 . °F. expl. lim.: 1.2-8 . %, 93 . °F. impurities: ≤. 0.1000% (water). refractive index: n20/D 1.395 (lit.). bp: 117-118 . °C. mp: −. 80 . °C (lit.). solubility: water: soluble 20 . g/L. density: 0.801 . g/mL . at 25 . °C (lit.). SMILES string: CC(C)CC(C): O. InChI: 1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3. InChI key: NTIZESTWPVYFNL-UHFFFAOYSA-N. Pictograms: GHS02,GHS07,GHS08. Signal Word: Danger. Hazard Statements: H225 - H319 - H332 - H336 - H351. Precautionary Statements: P202 - P210 - P233 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313. Hazard Classifications: Acute Tox. 4 Inhalation - Carc. 2 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3. Target Organs: Central nervous system. Supp Hazards: EUH066. Storage Class Code: 3 - Flammable liquids. WGK: WGK 1. Flash Point(F): 57.2 °F - closed cup. Flash Point(C): 14 °C - closed cup.