1.0 2010-04-08 22:05:49 UTC 2015-07-20 21:55:50 UTC FDB003494 2,6-Dimethyl-4-heptanone Flavouring ingredient (iso-C4H9)2CO 2,5-Dimethyl-4-heptanone 2,6-dimethyl-4-heptanone (diisobutyl ketone) 2,6-Dimethyl-heptan-4-on 2,6-Dimethylheptan-4-one 2,6-Dimethylheptanone 2,6-Dimetil-eptan-4-one 4-Heptanone, 2,6-dimethyl- 4-HEPTANONE,2,6-DIMETHYL DIISOBUTYL,KETONE C9-Ketones Di-isobutylcetone DIBK Dibutyl ketone DIIsobutilchetone Diisobutyl ketone Diisobutyl ketone [UN1157] [Flammable liquid] DIIsobutylketon DIIsobutylketone Diisopropylacetone FEMA 3537 Heptanone, 2,6-dimethyl-, 4- Isobutyl ketone Isovalerone Ketones, C9-branched S-dIIsopropylacetone Sec-dIIsopropyl acetone SYM-dIIsopropylacetone Valerone C9H18O 142.2386 142.135765198 2,6-dimethylheptan-4-one 2,6-dimethyl-4-heptanone 108-83-8 CC(C)CC(=O)CC(C)C InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3 PTTPXKJBFFKCEK-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 Liquid logp 2.71 ALOGPS logs -2.16 ALOGPS solubility 9.78e-01 g/l ALOGPS melting_point -41.5 oC logp 2.97 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2,6-dimethylheptan-4-one ChemAxon average_mass 142.2386 ChemAxon mono_mass 142.135765198 ChemAxon smiles CC(C)CC(=O)CC(C)C ChemAxon formula C9H18O ChemAxon inchi InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3 ChemAxon inchikey PTTPXKJBFFKCEK-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 43.75 ChemAxon polarizability 17.77 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1311 Specdb::NmrOneD 2124 Specdb::NmrOneD 3444 Specdb::MsMs 64071 Specdb::MsMs 64072 Specdb::MsMs 64073 Specdb::MsMs 121128 Specdb::MsMs 121129 Specdb::MsMs 121130 Specdb::MsMs 2338836 Specdb::MsMs 2338837 Specdb::MsMs 2338838 Specdb::MsMs 2623931 Specdb::MsMs 2623932 Specdb::MsMs 2623933 Specdb::CMs 10567 Specdb::CMs 27141 Specdb::CMs 28053 Specdb::CMs 28598 Specdb::CMs 100065 Specdb::CMs 100066 Specdb::CMs 100067 Specdb::CMs 100768 Specdb::CMs 100769 Specdb::CMs 100770 Specdb::CMs 100771 Specdb::CMs 100772 Specdb::CMs 100773 Specdb::CMs 155445 HMDB31417 #<Reference:0x000055ce335341c8> banana fruity green metallic pineapple