537713

4-Methyl-2-pentanone

≥99%

• Synonym(s): Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone
• Linear Formula: (CH₃)₂CHCH₂COCH₃
• CAS Number: 108-10-1
• Molecular Weight: 100.16
• Beilstein/REAXYS Number: 605399
• EC Number: 203-550-1
• MDL number: MFCD00008938
• UNSPSC Code: 12352115
• PubChem Substance ID: 329757992
• NACRES: NA.21

Properties

• vapor density: 3.5 (vs air)
• 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

Description

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).

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H319,H332,H336,H351
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 57.2 °F - closed cup
• flash_point_c: 14 °C - closed cup