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537713 Sigma-Aldrich

4-Methyl-2-pentanone

≥99%

Synonym: Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone

  • CAS Number 108-10-1

  • Linear Formula (CH3)2CHCH2COCH3

  • Molecular Weight 100.16

  •  Beilstein/REAXYS Number 605399

  •  EC Number 203-550-1

  •  MDL number MFCD00008938

  •  PubChem Substance ID 329757992

  •  NACRES NA.21

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Properties

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Quality Level   100
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).

Packaging

1, 4 L in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Target organs 
Respiratory system
Supplemental Hazard Statements 
EUH066
RIDADR 
UN1245 - class 3 - PG 2 - Methyl isobutyl ketone
WGK Germany 
WGK 1
RTECS 
SA9275000
Flash Point(F) 
57.2 °F - closed cup
Flash Point(C) 
14 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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