3-Methyl-2,4-pentanedione
Properties
- Molecular formula
- C6H10O2
- Molar mass
- 114.14 g/mol
- Exact mass
- 114.0681 Da
- Density
- 0.9769 g/mL (at 19.4 °C)
- Melting point
- 203 °C
- Boiling point
- 60–65 °C (at 13 Torr)
- logP
- 0.80Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
815-57-6SMILES
CC(=O)C(C)C(C)=OInChIKey
GSOHKPVFCOWKPU-UHFFFAOYSA-NInChI
InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2,4-Pentanedione, 3-methyl-
- 3-Methylacetylacetone
- 3-Methylacetoacetone
- NSC 100644
- NSC 100645
- NSC 15756
- 3-Methylpentan-2,4-dione
Reactions
Work with 3-Methyl-2,4-pentanedione
Similar compounds
Methyl isopropyl ketone563-80-456 % similar
Ethyl 2-methylacetoacetate609-14-350 % similar
3-Mercapto-2-butanone40789-98-848 % similar
3-Chloro-2-butanone4091-39-848 % similar
Acetoin513-86-048 % similar
3-Bromo-2-butanone814-75-548 % similar
3-Chloro-2,4-pentanedione1694-29-745 % similar
1,1-Difluoro-2-propanone431-05-045 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.