1.0 2010-04-08 22:12:45 UTC 2015-07-20 23:34:26 UTC FDB016965 Acetaldehyde butyl phenethyl acetal Flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours (2-(1-Butoxyethoxy)ethyl)-benzene (2-(1-Butoxyethoxy)ethyl)benzene [2-(1-Butoxyethoxy)ethyl]benzene, 9CI 2-Butoxy-2-phenylethoxyethane Acetaldehyde, butyl phenylethyl acetal Benzene, (2-(1-butoxyethoxy)ethyl)- FEMA 3125 C14H22O2 222.3233 222.161979948 [2-(1-butoxyethoxy)ethyl]benzene [2-(1-butoxyethoxy)ethyl]benzene 64577-91-9 CCCCOC(C)OCCC1=CC=CC=C1 InChI=1S/C14H22O2/c1-3-4-11-15-13(2)16-12-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3 JBEADRDKGADTFN-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 3.42 ALOGPS logs -4.24 ALOGPS solubility 1.29e-02 g/l ALOGPS logp 3.75 ChemAxon pka_strongest_basic -4 ChemAxon iupac [2-(1-butoxyethoxy)ethyl]benzene ChemAxon average_mass 222.3233 ChemAxon mono_mass 222.161979948 ChemAxon smiles CCCCOC(C)OCCC1=CC=CC=C1 ChemAxon formula C14H22O2 ChemAxon inchi InChI=1S/C14H22O2/c1-3-4-11-15-13(2)16-12-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3 ChemAxon inchikey JBEADRDKGADTFN-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 66.95 ChemAxon polarizability 27.01 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21925 Specdb::CMs 135652 Specdb::CMs 143386 Specdb::MsMs 71520 Specdb::MsMs 71521 Specdb::MsMs 71522 Specdb::MsMs 130218 Specdb::MsMs 130219 Specdb::MsMs 130220 Specdb::MsMs 2697585 Specdb::MsMs 2697586 Specdb::MsMs 2697587 Specdb::MsMs 2984048 Specdb::MsMs 2984049 Specdb::MsMs 2984050 HMDB37820 #<Reference:0x000055ce325329f0> green leafy vegetable