1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:15 UTC FDB016840 [2,2-bis(2-methylpropoxy)ethyl]benzene Flavouring ingredient (2,2-Bis(2-methylpropoxy)ethyl)-benzene (2,2-Bis(2-methylpropoxy)ethyl)benzene [2,2-Bis(2-methylpropoxy)ethyl]benzene, 9CI 1,1-Diisobutoxy-2-phenylethane Benzene, (2,2-bis(2-methylpropoxy)ethyl)- FEMA 3384 Phenylacetaldehyde dIIsobutyl acetal Phenylacetaldehyde, dIIsobutyl acetal C16H26O2 250.3764 250.193280076 [2,2-bis(2-methylpropoxy)ethyl]benzene [2,2-bis(2-methylpropoxy)ethyl]benzene 68345-22-2 CC(C)COC(CC1=CC=CC=C1)OCC(C)C InChI=1S/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3 IORFKGJOBOCHPX-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 homomonocyclic compounds Acetals Hydrocarbon derivatives Acetal Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound logp 4.22 ALOGPS logs -5.00 ALOGPS solubility 2.53e-03 g/l ALOGPS logp 4.68 ChemAxon pka_strongest_basic -4 ChemAxon iupac [2,2-bis(2-methylpropoxy)ethyl]benzene ChemAxon average_mass 250.3764 ChemAxon mono_mass 250.193280076 ChemAxon smiles CC(C)COC(CC1=CC=CC=C1)OCC(C)C ChemAxon formula C16H26O2 ChemAxon inchi InChI=1S/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3 ChemAxon inchikey IORFKGJOBOCHPX-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 75.76 ChemAxon polarizability 30.39 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12646 Specdb::CMs 135255 Specdb::CMs 142989 Specdb::MsMs 96237 Specdb::MsMs 96238 Specdb::MsMs 96239 Specdb::MsMs 160683 Specdb::MsMs 160684 Specdb::MsMs 160685 Specdb::MsMs 2449234 Specdb::MsMs 2449235 Specdb::MsMs 2449236 Specdb::MsMs 2486991 Specdb::MsMs 2486992 Specdb::MsMs 2486993 HMDB37712 #<Reference:0x000055ce31d35518> almond cortex floral green rose sweet