Ethyl isopropyl ketone
Properties
- Molecular formula
- C6H12O
- Molar mass
- 100.16 g/mol
- Exact mass
- 100.0888 Da
- Density
- 0.8349 g/mL (at 0 °C)
- Melting point
- 116–118 °C
- Boiling point
- 113.5 °C
- logP
- 1.62Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
Aggregated from 77 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
565-69-5SMILES
CCC(=O)C(C)CInChIKey
HYTRYEXINDDXJK-UHFFFAOYSA-NInChI
InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 3-Pentanone, 2-methyl-
- 2-Methyl-3-pentanone
- Isopropyl ethyl ketone
- 4-Methyl-3-pentanone
Work with Ethyl isopropyl ketone
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
2,6-Dimethyl-3,5-heptanedione18362-64-660 % similar
2-Methyl-3-hexanone7379-12-657 % similar
1-Bromo-3-methylbutan-2-one19967-55-652 % similar
2-Methyl-3-heptanone13019-20-052 % similar
1-Dimethylamino-2-methylpentan-3-one51690-03-046 % similar
4-Hydroxy-3-hexanone4984-85-446 % similar
Ethyl isobutyrylacetate7152-15-045 % similar
Methyl 4-methyl-3-oxopentanoate42558-54-343 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.