1.02010-04-08 22:14:12 UTC2015-07-21 06:34:05 UTCFDB0192076-Hexyl-1,4-dioxan-2-onePerfumery and flavour ingredient. Component of FEMA 2574C10H18O3186.2481186.1255944426-hexyl-1,4-dioxan-2-one6-hexyl-1,4-dioxan-2-one59646-18-3CCCCCCC1COCC(=O)O1InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-12-8-10(11)13-9/h9H,2-8H2,1H3DDMSZJBFTYIFQQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.1,4-dioxanesOrganic compoundsOrganoheterocyclic compoundsDioxanes1,4-dioxanesAliphatic heteromonocyclic compoundsCarbonyl compoundsCarboxylic acid estersDialkyl ethersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsAliphatic heteromonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDialkyl etherEtherHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclePara-dioxanelogp2.53logs-2.28solubility9.84e-01 g/llogp2.29pka_strongest_basic-4.2iupac6-hexyl-1,4-dioxan-2-oneaverage_mass186.2481mono_mass186.125594442smilesCCCCCCC1COCC(=O)O1formulaC10H18O3inchiInChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-12-8-10(11)13-9/h9H,2-8H2,1H3inchikeyDDMSZJBFTYIFQQ-UHFFFAOYSA-Npolar_surface_area35.53refractivity49.24polarizability21.34rotatable_bond_count5acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs20538Specdb::CMs145804Specdb::MsIr8192Specdb::MsIr8193Specdb::MsMs52830Specdb::MsMs52831Specdb::MsMs52832Specdb::MsMs112137Specdb::MsMs112138Specdb::MsMs112139Specdb::MsMs2835639Specdb::MsMs2835640Specdb::MsMs2835641Specdb::MsMs2873444Specdb::MsMs2873445Specdb::MsMs2873446HMDB39582#<Reference:0x0000555676151888>