chempirical

Pinacolone

C6H12OCAS 75-97-8100.16 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C6H12O
Molar mass
100.16 g/mol
Exact mass
100.0888 Da
Density
0.7229 g/mL (at 25 °C)
Melting point
−52.5 °C
Boiling point
106.1 °C
logP
1.62Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
75-97-8
SMILES
CC(=O)C(C)(C)C
InChIKey
PJGSXYOJTGTZAV-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Butanone, 3,3-dimethyl-
  • 3,3-Dimethyl-2-butanone
  • tert-Butyl methyl ketone
  • Methyl tert-butyl ketone
  • Pinacolin
  • Pinacoline
  • 2,2-Dimethyl-3-butanone
  • 1,1,1-Trimethylacetone
  • 1,1-Dimethylethyl methyl ketone
  • Methyl-t-butylketone
  • NSC 935

Reactions

Work with Pinacolone

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

3-Hydroxy-3-methyl-2-butanone115-22-048 % similar 1-(1-Methylcyclopropyl)ethanone1567-75-548 % similar Trifluoroacetone421-50-145 % similar 1,1,1-Trichloroacetone918-00-345 % similar Di-tert-butyl ketone815-24-744 % similar 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-440 % similar Methyl α,α-dimethylacetoacetate38923-57-838 % similar Pivalic anhydride1538-75-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl isobutyl ketone108-10-1 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia