3-Ethylpentane-2,4-dione
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- Density
- 0.953 g/mL (at 20 °C)
- Melting point
- 132–133 °C
- Boiling point
- 178.5 °C
- logP
- 1.19Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1540-34-7SMILES
CCC(C(C)=O)C(C)=OInChIKey
GUARKOVVHJSMRW-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 3-Ethyl-2,4-pentanedione
- 2,4-Pentanedione, 3-ethyl-
- 3-Ethylacetylacetone
- 3-Acetyl-2-pentanone
- γ-Ethylacetylacetone
- NSC 73741
Work with 3-Ethylpentane-2,4-dione
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
Ethyl 2-ethylacetoacetate607-97-659 % similar
3-Methyl-2-pentanone565-61-757 % similar
3-Mercapto-2-pentanone67633-97-054 % similar
2-Ethyl-1,3-cyclopentanedione823-36-948 % similar
Methyl isopropyl ketone563-80-448 % similar
Ethylmalonic acid601-75-246 % similar
Cyclopropyl methyl ketone765-43-545 % similar
2-Acetylcyclopentanone1670-46-844 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds