1.02010-04-08 22:14:59 UTC2018-05-28 18:55:19 UTCFDB020385(±)-3,5,5-TrimethylhexanalFlavouring ingredient3,5,5-Trimethl-hexanal3,5,5-Trimethyl-hexanalC9H18O142.2386142.1357651983,5,5-trimethylhexanalhexanal, 3,5,5-trimethyl-5435-64-3CC(CC=O)CC(C)(C)CInChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3WTPYRCJDOZVZON-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.Medium-chain aldehydesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsAlpha-hydrogen aldehydesHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundAlpha-hydrogen aldehydeHydrocarbon derivativeMedium-chain aldehydeOrganic oxidelogp3.51logs-3.22solubility8.51e-02 g/llogp2.53pka_strongest_acidic16.07pka_strongest_basic-7iupac3,5,5-trimethylhexanalaverage_mass142.2386mono_mass142.135765198smilesCC(CC=O)CC(C)(C)CformulaC9H18OinchiInChI=1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3inchikeyWTPYRCJDOZVZON-UHFFFAOYSA-Npolar_surface_area17.07refractivity43.72polarizability17.58rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs17677Specdb::CMs29435Specdb::CMs100938Specdb::CMs131100Specdb::CMs138834Specdb::MsIr4889Specdb::MsIr4890Specdb::MsMs98871Specdb::MsMs98872Specdb::MsMs98873Specdb::MsMs163899Specdb::MsMs163900Specdb::MsMs163901Specdb::MsMs2352175Specdb::MsMs2352176Specdb::MsMs2352177Specdb::MsMs2583227Specdb::MsMs2583228Specdb::MsMs2583229HMDB31730#<Reference:0x0000555674514af8>