Methyl isobutyl ketone

C₆H₁₂OCAS 108-10-1100.16 g/mol

Open in Covalent MOL file

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
logP: 1.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

Weigh it out

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

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

Same formula

Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 (±)-2-Methylpentanal123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0 3,3-Dimethylbutanal2987-16-8

Elsewhere

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