1.0 2010-04-08 22:07:17 UTC 2025-11-18 23:02:42 UTC FDB006736 Methylisopropyl ketone Methylisopropyl ketone, also known as isopropyl methyl ketone or 2-acetylpropane, is a member of the class of compounds known as ketones. Ketones are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, methylisopropyl ketone is considered to be an oxygenated hydrocarbon lipid molecule. Methylisopropyl ketone is soluble (in water) and an extremely weak acidic compound (based on its pKa). Methylisopropyl ketone is a camphor tasting compound found in guava and potato, which makes methylisopropyl ketone a potential biomarker for the consumption of these food products. 2-Acetyl propane 2-Acetylpropane 2-Methyl-3-butanone 3-Methyl butanone 3-Methyl-2-butanone 3-Methylbutan-2-one 3-Methylbutanone Isopropyl methyl ketone Methyl isopropyl ketone Methylbutanone MIPK C5H10O 86.1323 86.073164942 3-methylbutan-2-one methyl isopropyl ketone 563-80-4 CC(C)C(C)=O InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3 SYBYTAAJFKOIEJ-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons a ketone liquid logp 0.78 ALOGPS logs -0.44 ALOGPS solubility 3.11e+01 g/l ALOGPS melting_point -92 oC logp 1.35 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 3-methylbutan-2-one ChemAxon average_mass 86.1323 ChemAxon mono_mass 86.073164942 ChemAxon smiles CC(C)C(C)=O ChemAxon formula C5H10O ChemAxon inchi InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3 ChemAxon inchikey SYBYTAAJFKOIEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 25.4 ChemAxon polarizability 10.17 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3908 Specdb::NmrOneD 4184 Specdb::EiMs 1547 Specdb::CMs 75564 Specdb::MsMs 98937 Specdb::MsMs 98938 Specdb::MsMs 98939 Specdb::MsMs 163986 Specdb::MsMs 163987 Specdb::MsMs 163988 Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Guava Type 1 specific Psidium guajava 120290 Potato Type 1 specific Solanum tuberosum 4113 Sweet cherry Type 1 specific Prunus avium 42229 camphor