1.0 2026-09-21 13:45:32 UTC 2026-09-21 13:45:32 UTC FDB116527 3-Ethyltoluene 1-ethyl-3-methyl-benzene 1-ethyl-3-methylbenzene C9H12 120.1916 120.093900384 1-ethyl-3-methylbenzene M-ethyltoluene [H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 ZLCSFXXPPANWQY-UHFFFAOYSA-N belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. Toluenes Organic compounds Benzenoids Benzene and substituted derivatives Toluenes Aromatic homomonocyclic compounds Aromatic hydrocarbons Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Hydrocarbon Toluene Unsaturated hydrocarbon toluenes logp 3.79 ALOGPS logs -3.32 ALOGPS solubility 5.79e-02 g/l ALOGPS logp 3.44 ChemAxon iupac 1-ethyl-3-methylbenzene ChemAxon average_mass 120.1916 ChemAxon mono_mass 120.093900384 ChemAxon smiles [H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])[H] ChemAxon formula C9H12 ChemAxon inchi InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 ChemAxon inchikey ZLCSFXXPPANWQY-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 40.74 ChemAxon polarizability 15.02 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 29996 Specdb::CMs 33750 Specdb::CMs 102374 Specdb::CMs 147744 Specdb::MsMs 63345 Specdb::MsMs 63346 Specdb::MsMs 63347 Specdb::MsMs 120294 Specdb::MsMs 120295 Specdb::MsMs 120296 Specdb::MsMs 2748436 Specdb::MsMs 2748437 Specdb::MsMs 2748438 Specdb::MsMs 2933958 Specdb::MsMs 2933959 Specdb::MsMs 2933960