1.02010-04-08 22:08:04 UTC2015-07-20 22:22:12 UTCFDB0084087-Hydroxy-3,7-dimethyloctanalOccurs in essential oilsCitronellal hydrateFEMA 2583HydroxycitronellalPhixiaC10H20O2172.2646172.1463298847-hydroxy-3,7-dimethyloctanalhydroxycitronellal107-75-5CC(CCCC(C)(C)O)CC=OInChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3WPFVBOQKRVRMJB-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 oxidesTertiary alcoholsAlcoholAliphatic acyclic compoundAlpha-hydrogen aldehydeHydrocarbon derivativeMedium-chain aldehydeOrganic oxideTertiary alcoholtertiary alcohollogp2.50logs-2.43solubility6.39e-01 g/llogp1.64pka_strongest_acidic16.14pka_strongest_basic-1.3iupac7-hydroxy-3,7-dimethyloctanalaverage_mass172.2646mono_mass172.146329884smilesCC(CCCC(C)(C)O)CC=OformulaC10H20O2inchiInChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3inchikeyWPFVBOQKRVRMJB-UHFFFAOYSA-Npolar_surface_area37.3refractivity50.28polarizability20.69rotatable_bond_count6acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::MsIr4907Specdb::MsIr4908Specdb::MsIr4909Specdb::CMs18617Specdb::CMs29082Specdb::CMs42603Specdb::CMs100943Specdb::CMs155188Specdb::MsMs109707Specdb::MsMs109708Specdb::MsMs109709Specdb::MsMs177216Specdb::MsMs177217Specdb::MsMs177218Specdb::MsMs2728039Specdb::MsMs2728040Specdb::MsMs2728041Specdb::MsMs2980499Specdb::MsMs2980500Specdb::MsMs2980501floralgreenlilymelonsweettropicalwaxy