2-Methylcyclohexanone

C7H12OCAS 583-60-8112.17 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
Density
0.925 g/mL (at 20 °C)
Melting point
−14 °C
Boiling point
165.1 °C
Flash point
47.8 °C
Water solubility
insoluble
logP
1.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 606-011-00-2), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, P501

Identifiers

CAS number
583-60-8
SMILES
CC1CCCCC1=O
InChIKey
LFSAPCRASZRSKS-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Cyclohexanone, 2-methyl-
  • 2-Methyl-1-cyclohexanone
  • α-Methylcyclohexanone
  • (±)-2-Methylcyclohexanone
  • 2-Methylcyclohexane-1-one
  • NSC 524

Work with 2-Methylcyclohexanone

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

2-Methylcyclopentanone1120-72-586 % similar (S)-2-Methoxycyclohexanone155320-76-654 % similar 2-sec-Butylcyclohexanone14765-30-148 % similar 2-tert-Butylcyclohexanone1728-46-748 % similar 2-Acetylcyclohexanone874-23-748 % similar 2-Bromocyclohexanone822-85-548 % similar 2-Chlorocyclohexanone822-87-748 % similar 2-Methyl-1,3-cyclohexanedione1193-55-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 Methylenecyclohexane oxide185-70-6 trans-2-Heptenal18829-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook