1.02010-04-08 22:11:00 UTC2019-11-26 03:09:20 UTCFDB013952DaucolConstituent of carrot (Daucus carota) seed oil. Daucol is found in wild carrot, root vegetables, and carrot.cis-5β,8β-Epoxydaucan-9α-ol (Daucol)cis-5beta,8beta-Epoxydaucan-9alpha-ol (daucol)DaucolC15H26O2238.3657238.1932800765,8-dimethyl-2-(propan-2-yl)-11-oxatricyclo[6.2.1.0¹,⁵]undecan-7-oldaucol887-08-1CC(C)C1CCC2(C)CC(O)C3(C)CCC12O3InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3VLIUMVVQGMLOJG-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.OxanesOrganic compoundsOrganoheterocyclic compoundsOxanesAliphatic heteropolycyclic compoundsCyclic alcohols and derivativesDialkyl ethersHydrocarbon derivativesOxacyclic compoundsSecondary alcoholsTetrahydrofuransAlcoholAliphatic heteropolycyclic compoundCyclic alcoholDialkyl etherEtherHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacycleOxaneSecondary alcoholTetrahydrofuranlogp2.73logs-3.41solubility9.20e-02 g/lmelting_pointMp 113-115°logp2.88pka_strongest_acidic13.98pka_strongest_basic-3.2iupac5,8-dimethyl-2-(propan-2-yl)-11-oxatricyclo[6.2.1.0¹,⁵]undecan-7-olaverage_mass238.3657mono_mass238.193280076smilesCC(C)C1CCC2(C)CC(O)C3(C)CCC12O3formulaC15H26O2inchiInChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3inchikeyVLIUMVVQGMLOJG-UHFFFAOYSA-Npolar_surface_area29.46refractivity67.89polarizability28.05rotatable_bond_count1acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs23213Specdb::CMs44303Specdb::CMs174464Specdb::MsMs82143Specdb::MsMs82144Specdb::MsMs82145Specdb::MsMs143421Specdb::MsMs143422Specdb::MsMs143423Specdb::MsMs2389100Specdb::MsMs2389101Specdb::MsMs2389102Specdb::MsMs2573204Specdb::MsMs2573205Specdb::MsMs2573206HMDB35287#<Reference:0x00005556760b5578>CarrotType 1specificDaucus carota ssp. sativus7920077.25101.053.5mg/100 gRoot vegetablesUnknowngenericWild carrotType 1specificDaucus carota403977.25101.053.5mg/100 g