1.02010-04-08 22:12:26 UTC2018-05-29 01:26:25 UTCFDB0164424-Acetoxy-2-hexyltetrahydrofuranIt is used as a food additive 2-Hexyl-4-acetoxytetrahydrofuran2-Hexyltetrahydrofuran-4-yl acetate3-Furanol, 5-hexyltetrahydro-, acetate4-Acetoxy-2-hexyltetrahydrofuran5-hexyltetrahydro-3-furanyl AcetateC12H22O3214.3013214.156894575-hexyloxolan-3-yl acetate5-hexyloxolan-3-yl acetate10039-39-1CCCCCCC1CC(CO1)OC(C)=OInChI=1S/C12H22O3/c1-3-4-5-6-7-11-8-12(9-14-11)15-10(2)13/h11-12H,3-9H2,1-2H3IAJCTZJZXRAPDK-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.TetrahydrofuransOrganic compoundsOrganoheterocyclic compoundsTetrahydrofuransAliphatic heteromonocyclic compoundsCarbonyl compoundsCarboxylic acid estersDialkyl ethersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsAliphatic heteromonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDialkyl etherEtherHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleTetrahydrofuranlogp3.25logs-3.42solubility8.19e-02 g/llogp2.54pka_strongest_basic-4.2iupac5-hexyloxolan-3-yl acetateaverage_mass214.3013mono_mass214.15689457smilesCCCCCCC1CC(CO1)OC(C)=OformulaC12H22O3inchiInChI=1S/C12H22O3/c1-3-4-5-6-7-11-8-12(9-14-11)15-10(2)13/h11-12H,3-9H2,1-2H3inchikeyIAJCTZJZXRAPDK-UHFFFAOYSA-Npolar_surface_area35.53refractivity58.37polarizability25.66rotatable_bond_count7acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs11715Specdb::CMs158510Specdb::MsMs112326Specdb::MsMs112327Specdb::MsMs112328Specdb::MsMs2523969Specdb::MsMs2523970Specdb::MsMs2523971Specdb::MsMs56799Specdb::MsMs56800Specdb::MsMs56801Specdb::MsMs2439136Specdb::MsMs2439137Specdb::MsMs2439138HMDB37398#<Reference:0x0000555675d898e0>floralfruitysweet