1.0 2010-04-08 22:09:11 UTC 2018-05-28 22:23:51 UTC FDB010564 (2-Methoxyethyl)benzene Flavouring ingredient. Isolated from the famine food Pandanus odoratissimus. (2-Methoxyethyl)-benzene (2-Methoxyethyl)benzene, 9CI &beta;-phenylethyl methyl ether 1-Methoxy-2-phenylethane 2-methoxy-ethyl-benzene 2-Phenethyl methyl ether 2-Phenylethyl methyl ether Benzene, (2-methoxyethyl)- beta-Phenylethyl methyl ether Ether, methyl phenethyl FEMA 3198 Kedwa ether Kewda ether Methyl 2-phenethyl ether Methyl phenethyl ether Methyl phenethyl oxide Methyl phenyl ethyl ether Methyl phenylethyl ether Phenethyl methyl ether Phenylethyl methyl ether C9H12O 136.191 136.088815006 (2-methoxyethyl)benzene benzene, (2-methoxyethyl)- 3558-60-9 COCCC1=CC=CC=C1 InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 CQLYXIUHVFRXLT-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 Dialkyl ethers Hydrocarbon derivatives Aromatic homomonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound logp 2.17 ALOGPS logs -2.74 ALOGPS solubility 2.46e-01 g/l ALOGPS logp 2.14 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2-methoxyethyl)benzene ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles COCCC1=CC=CC=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 ChemAxon inchikey CQLYXIUHVFRXLT-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 42.38 ChemAxon polarizability 15.99 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5643 Specdb::MsIr 5644 Specdb::CMs 26619 Specdb::CMs 28703 Specdb::CMs 101233 Specdb::CMs 146683 Specdb::MsMs 42903 Specdb::MsMs 42904 Specdb::MsMs 42905 Specdb::MsMs 111810 Specdb::MsMs 111811 Specdb::MsMs 111812 Specdb::MsMs 2355033 Specdb::MsMs 2355034 Specdb::MsMs 2355035 Specdb::MsMs 2607993 Specdb::MsMs 2607994 Specdb::MsMs 2607995 HMDB32621 #<Reference:0x000055ce32d36250> chrysanthemum floral green jasmin metallic rose