3-Octanone
Properties
- Molecular formula
- C8H16O
- Molar mass
- 128.21 g/mol
- Exact mass
- 128.1201 Da
- Density
- 0.82 g/mL (at 24 °C)
- Boiling point
- 167.5 °C
- Water solubility
- miscible
- logP
- 2.55Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 5
Hazards
Warning
- H226 Flammable liquid and vapor99.7% of notifiers
Aggregated from 1,778 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
106-68-3SMILES
CCCCCC(=O)CCInChIKey
RHLVCLIPMVJYKS-UHFFFAOYSA-NInChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Amyl ethyl ketone
- EAK
- Ethyl amyl ketone
- n-Octanone-3
- Ethyl pentyl ketone
- Ethyl n-amyl ketone
- Ethyl n-pentyl ketone
- n-Amyl ethyl ketone
- 3-Oxooctane
- NSC 60161
- 3-Octanal
Work with 3-Octanone
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
Dodecan-3-one1534-27-695 % similar
3-Hexadecanone18787-64-995 % similar
3-Undecanone2216-87-795 % similar
3-Nonanone925-78-095 % similar
3-Decanone928-80-395 % similar
3-Heptanone106-35-486 % similar
6-Undecanone927-49-176 % similar
11-Heneicosanone19781-72-773 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds