1.0 2010-04-08 22:12:26 UTC 2018-05-29 01:26:25 UTC FDB016442 4-Acetoxy-2-hexyltetrahydrofuran It is used as a food additive 2-Hexyl-4-acetoxytetrahydrofuran 2-Hexyltetrahydrofuran-4-yl acetate 3-Furanol, 5-hexyltetrahydro-, acetate 4-Acetoxy-2-hexyltetrahydrofuran 5-hexyltetrahydro-3-furanyl Acetate C12H22O3 214.3013 214.15689457 5-hexyloxolan-3-yl acetate 5-hexyloxolan-3-yl acetate 10039-39-1 CCCCCCC1CC(CO1)OC(C)=O InChI=1S/C12H22O3/c1-3-4-5-6-7-11-8-12(9-14-11)15-10(2)13/h11-12H,3-9H2,1-2H3 IAJCTZJZXRAPDK-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. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.25 ALOGPS logs -3.42 ALOGPS solubility 8.19e-02 g/l ALOGPS logp 2.54 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 5-hexyloxolan-3-yl acetate ChemAxon average_mass 214.3013 ChemAxon mono_mass 214.15689457 ChemAxon smiles CCCCCCC1CC(CO1)OC(C)=O ChemAxon formula C12H22O3 ChemAxon inchi InChI=1S/C12H22O3/c1-3-4-5-6-7-11-8-12(9-14-11)15-10(2)13/h11-12H,3-9H2,1-2H3 ChemAxon inchikey IAJCTZJZXRAPDK-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 58.37 ChemAxon polarizability 25.66 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56799 Specdb::MsMs 56800 Specdb::MsMs 56801 Specdb::MsMs 112326 Specdb::MsMs 112327 Specdb::MsMs 112328 Specdb::MsMs 2439136 Specdb::MsMs 2439137 Specdb::MsMs 2439138 Specdb::MsMs 2523969 Specdb::MsMs 2523970 Specdb::MsMs 2523971 Specdb::CMs 11715 Specdb::CMs 158510 HMDB37398 #<Reference:0x000055ce31d3a158> floral fruity sweet