1.0 2010-04-08 22:11:30 UTC 2015-07-20 23:11:50 UTC FDB014839 Rhubafuran Fragrance/flavoring agent ingredient 2,4-Dimethyl-4-phenyltetrahydrofuran Furan, tetrahydro-2,4-dimethyl-4-phenyl- Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4R)-rel- Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4S)-rel- Furan, Tetrahydro-2,4-dimethyl-4-phenyl-, Cis- Furan, tetrahydro-2,4-dimethyl-4-phenyl-, trans- Rhubafuran Tetrahydro-2,4-dimethyl-4-phenyl-(2R,4R)-rel-furan Tetrahydro-2,4-dimethyl-4-phenyl-(2R,4S)-rel-furan Tetrahydro-2,4-dimethyl-4-phenyl-cis-furan Tetrahydro-2,4-dimethyl-4-phenyl-furan Tetrahydro-2,4-dimethyl-4-phenyl-trans-furan C12H16O 176.2548 176.120115134 2,4-dimethyl-4-phenyloxolane 2,4-dimethyl-4-phenyloxolane 82461-14-1 CC1CC(C)(CO1)C1=CC=CC=C1 InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 GPMLJOOQCIHFET-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans Aromatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.36 ALOGPS logs -3.94 ALOGPS solubility 2.01e-02 g/l ALOGPS logp 2.82 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,4-dimethyl-4-phenyloxolane ChemAxon average_mass 176.2548 ChemAxon mono_mass 176.120115134 ChemAxon smiles CC1CC(C)(CO1)C1=CC=CC=C1 ChemAxon formula C12H16O ChemAxon inchi InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 ChemAxon inchikey GPMLJOOQCIHFET-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 53.94 ChemAxon polarizability 20.73 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25871 Specdb::CMs 131235 Specdb::CMs 138969 Specdb::MsMs 87594 Specdb::MsMs 87595 Specdb::MsMs 87596 Specdb::MsMs 150120 Specdb::MsMs 150121 Specdb::MsMs 150122 Specdb::MsMs 2471979 Specdb::MsMs 2471980 Specdb::MsMs 2471981 Specdb::MsMs 2494481 Specdb::MsMs 2494482 Specdb::MsMs 2494483 HMDB36021 #<Reference:0x000055ce323e0700> grapefruit green rhubarb