1.02011-03-30 21:42:21 UTC2018-05-29 01:52:28 UTCFDB021775Phenethyl isoamyl etherIt is used in perfumes, household products and food flavouring [CCD][2-(3-Methylbutoxy)ethyl]benzene, 9CI2-Phenylethanol2-Phenylethanol; 3-Methylbutyl ether3-Methylbutyl etherIsoamyl phenethyl etherPhenethyl isoamyl etherC13H20O192.302192.151415264[2-(3-methylbutoxy)ethyl]benzene[2-(3-methylbutoxy)ethyl]benzene56011-02-0CC(C)CCOCCC1=CC=CC=C1InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3BHQBQWOZHYUVTL-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 derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsDialkyl ethersHydrocarbon derivativesAromatic homomonocyclic compoundDialkyl etherEtherHydrocarbon derivativeMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundlogp4.14logs-4.80solubility3.07e-03 g/llogp3.75pka_strongest_basic-4.1iupac[2-(3-methylbutoxy)ethyl]benzeneaverage_mass192.302mono_mass192.151415264smilesCC(C)CCOCCC1=CC=CC=C1formulaC13H20OinchiInChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3inchikeyBHQBQWOZHYUVTL-UHFFFAOYSA-Npolar_surface_area9.23refractivity60.8polarizability24.15rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs18535Specdb::CMs28418Specdb::CMs102252Specdb::CMs133590Specdb::CMs141324Specdb::MsIr9350Specdb::MsIr9351Specdb::MsMs100266Specdb::MsMs100267Specdb::MsMs100268Specdb::MsMs165537Specdb::MsMs165538Specdb::MsMs165539Specdb::MsMs2777489Specdb::MsMs2777490Specdb::MsMs2777491Specdb::MsMs2900955Specdb::MsMs2900956Specdb::MsMs2900957HMDB41615#<Reference:0x0000555675d4fca8>BeerType 2specific16.8616.8616.86mg/100 gcoolfreshgreenhyacinthleafymetallicspring