1.0 2010-04-08 22:07:00 UTC 2025-11-18 23:01:01 UTC FDB006154 5-Methylheptan-3-one 5-methylheptan-3-one 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, 5-methylheptan-3-one is considered to be an oxygenated hydrocarbon lipid molecule. 5-methylheptan-3-one is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 5-methylheptan-3-one can be found in peppermint, which makes 5-methylheptan-3-one a potential biomarker for the consumption of this food product. 2-Methylbutyl ethyl ketone 3-Methyl-5-heptanone 5-Methyl-3-heptanone 5-Methyl-heptan-3-one 5-Methylheptan-3-one Ethyl 2-methylbutyl ketone Ethyl isoamyl ketone Ethyl sec-amyl ketone C8H16O 128.212 128.120115134 5-methylheptan-3-one ethyl amylketone 541-85-5 CCC(C)CC(=O)CC InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3 PSBKJPTZCVYXSD-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 logp 2.69 ALOGPS logs -1.75 ALOGPS solubility 2.28e+00 g/l ALOGPS logp 2.68 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 5-methylheptan-3-one ChemAxon average_mass 128.212 ChemAxon mono_mass 128.120115134 ChemAxon smiles CCC(C)CC(=O)CC ChemAxon formula C8H16O ChemAxon inchi InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3 ChemAxon inchikey PSBKJPTZCVYXSD-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 39.2 ChemAxon polarizability 15.97 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104076 Specdb::MsMs 104077 Specdb::MsMs 104078 Specdb::MsMs 170262 Specdb::MsMs 170263 Specdb::MsMs 170264 Specdb::MsMs 3602549 Specdb::MsMs 3602550 Specdb::MsMs 3602551 Specdb::MsMs 3602552 Specdb::MsMs 3602553 Specdb::MsMs 3602554 Peppermint Type 1 specific Mentha X piperita 34256 0.00055 0.00055 0.00055 mg/100 g