chempirical

Cyclohexyl methyl ketone

C8H14OCAS 823-76-7126.20 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C8H14O
Molar mass
126.20 g/mol
Exact mass
126.1045 Da
Density
0.9254 g/mL (at 16 °C)
Melting point
49.5–51 °C
Boiling point
180.5 °C
logP
2.16Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
823-76-7
SMILES
CC(=O)C1CCCCC1
InChIKey
RIFKADJTWUGDOV-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Ethanone, 1-cyclohexyl-
  • Ketone, cyclohexyl methyl
  • 1-Cyclohexylethanone
  • Acetophenone, hexahydro-
  • Cyclohexane, acetyl-
  • Acetylcyclohexane
  • Methyl cyclohexyl ketone
  • Cyclohexylethanone
  • 1-Acetylcyclohexane
  • 1-Cyclohexylacetaldehyde
  • NSC 16249
  • 1-Cyclohexylethan-1-one

Reactions

Work with Cyclohexyl methyl 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

Cyclohexyl ketone119-60-850 % similar 2-Acetylcyclohexanone874-23-746 % similar Methyl cyclohexanecarboxylate4630-82-444 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-944 % similar Cycloheptanecarboxylic acid1460-16-844 % similar Cyclohexanecarbonyl chloride2719-27-944 % similar Cyclohexanecarboxylic acid98-89-544 % similar 2-Acetylcyclopentanone1670-46-843 % similar

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

Same formula

3,5-Dimethyl-1-hexyn-3-ol107-54-0 Sulcatone110-93-0 3-Octyn-1-ol14916-80-4 3-Octen-2-one1669-44-9 2-(5-Hexen-1-yl)oxirane19600-63-6 2-Octyn-1-ol20739-58-6 Cyclohexyl vinyl ether2182-55-0 (E)-2-Octenal2548-87-0

Elsewhere

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