1.0 2010-04-08 22:13:44 UTC 2019-11-26 03:16:12 UTC FDB018473 2-Ethyl-5-methylphenol Constituent of Angelica subspecies Metabolite of Penicillium subspecies on barley. 2-Ethyl-5-methylphenol is found in cereals and cereal products. 2-Ethyl-5-methyl-phenol 5-Ethyl-2-methylphenol 6-Ethyl-m-cresol 6-Ethyl-m-cresol, 8CI Ethyl-m-cresol m-Cresol, 6-ethyl- Phenol, 2-ethyl-5-methyl- C9H12O 136.191 136.088815006 2-ethyl-5-methylphenol m-cresol, 6-ethyl- 1687-61-2 CCC1=C(O)C=C(C)C=C1 InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3 LTRVUFFOMIUCPJ-UHFFFAOYSA-N belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively. Meta cresols Organic compounds Benzenoids Phenols Cresols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative M-cresol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Toluene logp 2.86 ALOGPS logs -1.82 ALOGPS solubility 2.07e+00 g/l ALOGPS melting_point Mp 42-44° (41-42°) logp 3.14 ChemAxon pka_strongest_acidic 10.4 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 2-ethyl-5-methylphenol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CCC1=C(O)C=C(C)C=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3 ChemAxon inchikey LTRVUFFOMIUCPJ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.72 ChemAxon polarizability 15.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8084 Specdb::MsIr 8085 Specdb::MsIr 8086 Specdb::CMs 16396 Specdb::CMs 27689 Specdb::CMs 46188 Specdb::CMs 102005 Specdb::CMs 151388 Specdb::NmrOneD 30502 Specdb::NmrOneD 30503 Specdb::NmrOneD 30504 Specdb::NmrOneD 30505 Specdb::NmrOneD 30506 Specdb::NmrOneD 30507 Specdb::NmrOneD 30508 Specdb::NmrOneD 30509 Specdb::NmrOneD 30510 Specdb::NmrOneD 30511 Specdb::NmrOneD 30512 Specdb::NmrOneD 30513 Specdb::NmrOneD 30514 Specdb::NmrOneD 30515 Specdb::NmrOneD 30516 Specdb::NmrOneD 30517 Specdb::NmrOneD 30518 Specdb::NmrOneD 30519 Specdb::NmrOneD 30520 Specdb::NmrOneD 30521 Specdb::MsMs 81057 Specdb::MsMs 81058 Specdb::MsMs 81059 Specdb::MsMs 142080 Specdb::MsMs 142081 Specdb::MsMs 142082 Specdb::MsMs 2438875 Specdb::MsMs 2438876 Specdb::MsMs 2438877 Specdb::MsMs 2523774 Specdb::MsMs 2523775 Specdb::MsMs 2523776 HMDB38987 #<Reference:0x000055ce335d9b00> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic