1.02010-04-08 22:12:21 UTC2015-07-20 23:28:31 UTCFDB0163074-Methyl-2-pentyl-1,3-dioxolaneFlavouring ingredient1,3-Dioxolane, 4-methyl-2-pentyl-2-Amyl-4-methyl-1,3-dioxolane2-Pentyl-4-methyl-1,3-dioxolane4-Methyl-2-pentyl-1,3-dioxolaneFEMA 3630Hexaldehyde propylene glycol acetalHexanal propylene glycol acetalC9H18O2158.238158.130679824-methyl-2-pentyl-1,3-dioxolane4-methyl-2-pentyl-1,3-dioxolane1599-49-1CCCCCC1OCC(C)O1InChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3GWMSIWCZZKMUQM-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.1,3-dioxolanesOrganic compoundsOrganoheterocyclic compoundsDioxolanes1,3-dioxolanesAliphatic heteromonocyclic compoundsAcetalsHydrocarbon derivativesOxacyclic compoundsAcetalAliphatic heteromonocyclic compoundHydrocarbon derivativeMeta-dioxolaneOrganic oxygen compoundOrganooxygen compoundOxacyclelogp2.35logs-2.11solubility1.22e+00 g/llogp2.63pka_strongest_basic-4iupac4-methyl-2-pentyl-1,3-dioxolaneaverage_mass158.238mono_mass158.13067982smilesCCCCCC1OCC(C)O1formulaC9H18O2inchiInChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3inchikeyGWMSIWCZZKMUQM-UHFFFAOYSA-Npolar_surface_area18.46refractivity44.43polarizability19.37rotatable_bond_count4acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs26224Specdb::CMs168821Specdb::MsMs45552Specdb::MsMs45553Specdb::MsMs45554Specdb::MsMs127095Specdb::MsMs127096Specdb::MsMs127097Specdb::MsMs2758392Specdb::MsMs2758393Specdb::MsMs2758394Specdb::MsMs2950362Specdb::MsMs2950363Specdb::MsMs2950364HMDB37288#<Reference:0x00005556740a13e0>cleanfreshgreenlicoricepetroleumruevegetable skinwaxy