Cyclooctanone
Properties
- Molecular formula
- C8H14O
- Molar mass
- 126.20 g/mol
- Exact mass
- 126.1045 Da
- Density
- 0.9584 g/mL (at 20 °C)
- Melting point
- 29 °C
- Boiling point
- 196 °C
- logP
- 2.30Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed68.2% of notifiers
- H314 Causes severe skin burns and eye damage72.7% of notifiers
- H315 Causes skin irritation27.3% of notifiers
- H318 Causes serious eye damage70.8% of notifiers
- H319 Causes serious eye irritation26.6% of notifiers
- H335 May cause respiratory irritation26.6% of notifiers
Aggregated from 154 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
502-49-8SMILES
O=C1CCCCCCC1InChIKey
IIRFCWANHMSDCG-UHFFFAOYSA-NInChI
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- NSC 9475
Work with Cyclooctanone
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
Cyclohexanone108-94-1100 % similar
Cyclodecanone1502-06-3100 % similar
Cycloheptanone502-42-1100 % 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.