Cyclohexanone

C6H10OCAS 108-94-198.15 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C6H10O
Molar mass
98.15 g/mol
Exact mass
98.0732 Da
Density
0.9478 g/mL (at 20 °C)
Melting point
−31 °C
Boiling point
1.4 °C (at 1 Torr)
Flash point
43.9 °C (closed cup)
Water solubility
150 g/L
logP
1.52Crippen 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 606-010-00-7), 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
108-94-1
SMILES
O=C1CCCCC1
InChIKey
JHIVVAPYMSGYDF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

Weigh it out

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

Names and synonyms

10 names
  • Anone
  • Hexanon
  • Hytrol O
  • Nadone
  • Pimelic ketone
  • Pimelin ketone
  • Sextone
  • Anon
  • NSC 5711
  • C 0489

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 108-94-1. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Cyclohexanone

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

Cyclodecanone1502-06-3100 % similar Cycloheptanone502-42-1100 % similar Cyclooctanone502-49-8100 % similar Cyclopentadecanone502-72-7100 % similar Cyclododecanone830-13-7100 % similar Cyclopentanone120-92-392 % similar Cycloheptane-1,3-dione1194-18-979 % similar Cyclobutanone1191-95-377 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 5-Hexene-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5 (2R)-2-(3-Buten-1-yl)oxirane137688-20-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia