5-Nonanone
Properties
- Molecular formula
- C9H18O
- Molar mass
- 142.24 g/mol
- Exact mass
- 142.1358 Da
- Density
- 0.8217 g/mL (at 20 °C)
- Melting point
- −5.9 °C
- Boiling point
- 188.4 °C
- Flash point
- 60 °C (closed cup)
- Water solubility
- 363 mg/L (30 °C)
- logP
- 2.94Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 6
Hazards
Danger
- H226 Flammable liquid and vapor25% of notifiers
- H227 Combustible liquid25% of notifiers
- H315 Causes skin irritation25% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
- H336 May cause drowsiness or dizziness25% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
502-56-7SMILES
CCCCC(=O)CCCCInChIKey
WSGCRAOTEDLMFQ-UHFFFAOYSA-NInChI
InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Butyl ketone
- Dibutyl ketone
- NSC 14761
Work with 5-Nonanone
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
5-Dodecanone19780-10-084 % similar
6-Undecanone927-49-183 % similar
11-Heneicosanone19781-72-779 % similar
Hexyl ketone462-18-079 % similar
18-Pentatriacontanone504-53-079 % similar
Nonyl ketone504-57-479 % similar
12-Tricosanone540-09-079 % similar
14-Heptacosanone542-50-779 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.