2-Pentanone
Properties
- Molecular formula
- C5H10O
- Molar mass
- 86.13 g/mol
- Exact mass
- 86.0732 Da
- Density
- 0.809 g/mL (at 20 °C)
- Melting point
- −78 °C
- Boiling point
- 101.7 °C
- Flash point
- 7 °C (closed cup)
- Water solubility
- 40 g/L (20 °C)
- logP
- 1.38Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor31.3% of notifiers
- H302 Harmful if swallowed92.7% of notifiers
- H319 Causes serious eye irritation91.1% of notifiers
- H335 May cause respiratory irritation74.6% of notifiers
Aggregated from 1,881 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P319, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
107-87-9SMILES
CCCC(C)=OInChIKey
XNLICIUVMPYHGG-UHFFFAOYSA-NInChI
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Methyl propyl ketone
- Methyl n-propyl ketone
- Ethylacetone
- Propyl methyl ketone
- 4-Methyl-2-butanone
- NSC 5350
Work with 2-Pentanone
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
2-Hexanone591-78-670 % similar
2-Heptanone110-43-067 % similar
Hexane-2,5-dione110-13-465 % similar
2-Octanone111-13-764 % similar
2-Undecanone112-12-964 % similar
2-Tetradecanone2345-27-964 % similar
2-Pentadecanone2345-28-064 % similar
2-Tridecanone593-08-864 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.