3-Pentanone
Properties
- Molecular formula
- C5H10O
- Molar mass
- 86.13 g/mol
- Exact mass
- 86.0732 Da
- Density
- 0.816 g/mL (at 19 °C)
- Melting point
- −39 °C
- Boiling point
- 101.9 °C
- Flash point
- 12.8 °C (open cup)
- Water solubility
- 47 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 vaporFlammable liquids
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
Harmonised EU classification (CLP Annex VI, index 606-006-00-5), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
96-22-0SMILES
CCC(=O)CCInChIKey
FDPIMTJIUBPUKL-UHFFFAOYSA-NInChI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- DEK
- Diethyl ketone
- Dimethylacetone
- Ethyl ketone
- Metacetone
- Methacetone
- Propione
- ZED 2EK
- NSC 8653
Work with 3-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
3,6-Octanedione2955-65-973 % similar
3,5-Heptanedione7424-54-673 % similar
3-Hexanone589-38-861 % similar
Bromomethyl ethyl ketone816-40-061 % similar
3-Heptanone106-35-455 % similar
Methylthiomethyl ethyl ketone13678-58-555 % similar
2,4-Hexanedione3002-24-255 % similar
3-Octanone106-68-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.