Methyl isobutyl ketone

C₆H₁₂OCAS 108-10-1100.16 g/mol

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Properties

Molecular formula: C₆H₁₂O
Molar mass: 100.16 g/mol
Exact mass: 100.0888 Da
Density: 0.8042 g/mL (at 20 °C)
Melting point: −85 °C
Boiling point: 115.8 °C
Flash point: 14 °C (closed cup)
Water solubility: 19 g/L (25 °C)
logP: 1.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H319 Causes serious eye irritationSerious eye damage/eye irritation
H332 Harmful if inhaledAcute toxicity, inhalation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
H351 Suspected of causing cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI, index 606-004-00-4), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

108-10-1

SMILES

CC(=O)CC(C)C

InChIKey

NTIZESTWPVYFNL-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all

2-Pentanone, 4-methyl-
4-Methyl-2-pentanone
Isobutyl methyl ketone
2-Methyl-4-pentanone
MIBK
MIK
Hexone
4-Methyl-2-oxopentane
Isopropylacetone
2-Methylpropyl methyl ketone
Methyl iso-butyl ketone
Methyl 2-methylpropyl ketone
NSC 5712
ZMD-D

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 108-10-1. Each row opens the sheet with its composition and PDF.

4-Methyl-2-pentanone > 95 %Fisher Scientific Company · 2025-12-19

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Work with Methyl isobutyl ketone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Methyl-2,4-heptanedione3002-23-163 % similar 5-Methyl-2-hexanone110-12-357 % similar Isobutyl ketone108-83-852 % similar Cyclohexylacetone103-78-648 % similar 4,4-Dimethoxy-2-butanone5436-21-548 % similar 2,8-Dimethylnonane-4,6-dione7307-08-648 % similar Isovaleryl chloride108-12-346 % similar Isovaleric anhydride1468-39-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 2-Methylpentaldehyde123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0 3,3-Dimethylbutanal2987-16-8

Elsewhere

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