1.0 2010-04-08 22:12:15 UTC 2015-07-20 23:25:49 UTC FDB016130 1-Benzyloxy-1-(2-methoxyethoxy)ethane Flavouring ingredient 5-Iodo-indirubin-3 -monoxime 5-iodo-Indirubin-3'-monoxime Acetaldehyde benzyl b-methoxyethyl acetal Benzyl methoxyethyl acetal FEMA 2148 C12H18O3 210.2695 210.125594442 {[1-(2-methoxyethoxy)ethoxy]methyl}benzene {[1-(2-methoxyethoxy)ethoxy]methyl}benzene 7492-39-9 COCCOC(C)OCC1=CC=CC=C1 InChI=1S/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 CNGTXGHYZBQUQS-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 Dialkyl ethers Hydrocarbon derivatives Acetal Aromatic homomonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound logp 1.59 ALOGPS logs -3.05 ALOGPS solubility 1.88e-01 g/l ALOGPS logp 2.09 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac {[1-(2-methoxyethoxy)ethoxy]methyl}benzene ChemAxon average_mass 210.2695 ChemAxon mono_mass 210.125594442 ChemAxon smiles COCCOC(C)OCC1=CC=CC=C1 ChemAxon formula C12H18O3 ChemAxon inchi InChI=1S/C12H18O3/c1-11(14-9-8-13-2)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 ChemAxon inchikey CNGTXGHYZBQUQS-UHFFFAOYSA-N ChemAxon polar_surface_area 27.69 ChemAxon refractivity 59.36 ChemAxon polarizability 24 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15857 Specdb::CMs 153064 Specdb::MsIr 7395 Specdb::MsIr 7396 Specdb::MsMs 93702 Specdb::MsMs 93703 Specdb::MsMs 93704 Specdb::MsMs 157521 Specdb::MsMs 157522 Specdb::MsMs 157523 Specdb::MsMs 2774066 Specdb::MsMs 2774067 Specdb::MsMs 2774068 Specdb::MsMs 2904408 Specdb::MsMs 2904409 Specdb::MsMs 2904410 HMDB37135 #<Reference:0x000055ce3254aeb0> fruity green mild sweet