1.0 2011-03-30 21:42:21 UTC 2018-05-29 01:52:28 UTC FDB021775 Phenethyl isoamyl ether It is used in perfumes, household products and food flavouring [CCD] [2-(3-Methylbutoxy)ethyl]benzene, 9CI 2-Phenylethanol 2-Phenylethanol; 3-Methylbutyl ether 3-Methylbutyl ether Isoamyl phenethyl ether Phenethyl isoamyl ether C13H20O 192.302 192.151415264 [2-(3-methylbutoxy)ethyl]benzene [2-(3-methylbutoxy)ethyl]benzene 56011-02-0 CC(C)CCOCCC1=CC=CC=C1 InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3 BHQBQWOZHYUVTL-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 4.14 ALOGPS logs -4.80 ALOGPS solubility 3.07e-03 g/l ALOGPS logp 3.75 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac [2-(3-methylbutoxy)ethyl]benzene ChemAxon average_mass 192.302 ChemAxon mono_mass 192.151415264 ChemAxon smiles CC(C)CCOCCC1=CC=CC=C1 ChemAxon formula C13H20O ChemAxon inchi InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3 ChemAxon inchikey BHQBQWOZHYUVTL-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 60.8 ChemAxon polarizability 24.15 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9350 Specdb::MsIr 9351 Specdb::CMs 18535 Specdb::CMs 28418 Specdb::CMs 102252 Specdb::CMs 133590 Specdb::CMs 141324 Specdb::MsMs 100266 Specdb::MsMs 100267 Specdb::MsMs 100268 Specdb::MsMs 165537 Specdb::MsMs 165538 Specdb::MsMs 165539 Specdb::MsMs 2777489 Specdb::MsMs 2777490 Specdb::MsMs 2777491 Specdb::MsMs 2900955 Specdb::MsMs 2900956 Specdb::MsMs 2900957 HMDB41615 #<Reference:0x000055ce32b57100> Beer Type 2 specific 16.86 16.86 16.86 mg/100 g cool fresh green hyacinth leafy metallic spring