1.02010-04-08 22:06:30 UTC2020-09-17 15:32:11 UTCFDB005050MethylheptanoneEthyl pentyl ketone, also known as octan-3-one or 3-octanon, 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 α-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, ethyl pentyl ketone is considered to be an oxygenated hydrocarbon lipid molecule. Ethyl pentyl ketone is a very hydrophobic molecule, practically insoluble in water. Ethyl pentyl ketone has been detected, but not quantified, in cardamoms and lemons.C8H16O128.212128.120115134octan-3-one3-octanone106-68-3CCCCCC(=O)CCInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3RHLVCLIPMVJYKS-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.KetonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundHydrocarbon derivativeKetoneOrganic oxideOxygenated hydrocarbonsketonelogp2.61logs-1.94solubility1.48e+00 g/llogp2.84pka_strongest_basic-7.3iupacoctan-3-oneaverage_mass128.212mono_mass128.120115134smilesCCCCCC(=O)CCformulaC8H16OinchiInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3inchikeyRHLVCLIPMVJYKS-UHFFFAOYSA-Npolar_surface_area17.07refractivity39.25polarizability16.28rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1928Specdb::CMs3130Specdb::CMs27284Specdb::CMs28595Specdb::CMs100704Specdb::CMs100705Specdb::CMs155004Specdb::MsIr4308Specdb::MsIr4309Specdb::NmrOneD3775Specdb::NmrOneD4034Specdb::NmrOneD18502Specdb::NmrOneD18503Specdb::NmrOneD18504Specdb::NmrOneD18505Specdb::NmrOneD18506Specdb::NmrOneD18507Specdb::NmrOneD18508Specdb::NmrOneD18509Specdb::NmrOneD18510Specdb::NmrOneD18511Specdb::NmrOneD18512Specdb::NmrOneD18513Specdb::NmrOneD18514Specdb::NmrOneD18515Specdb::NmrOneD18516Specdb::NmrOneD18517Specdb::NmrOneD18518Specdb::NmrOneD18519Specdb::NmrOneD18520Specdb::NmrOneD18521Specdb::MsMs8624Specdb::MsMs8625Specdb::MsMs8626Specdb::MsMs15296Specdb::MsMs15297Specdb::MsMs15298Specdb::MsMs2758851Specdb::MsMs2758852Specdb::MsMs2758853Specdb::MsMs2950752Specdb::MsMs2950753Specdb::MsMs2950754CardamomType 1specificElettaria cardamomum105181LemonType 1specificCitrus limon2708