1.0 2010-04-08 22:13:44 UTC 2019-11-26 03:16:12 UTC FDB018471 3-Ethyl-5-methylphenol Isolated from grains of wild rice (Zizania aquatica). 3-Ethyl-5-methylphenol is found in cereals and cereal products. 1-Hydroxy-3-methyl-5-ethylbenzene 3-Ethyl-5-methyl-phenol 3-Methyl-5-ethylphenol 5-Ethyl-m-cresol 5-Ethyl-m-cresol, 8CI m-Cresol, 5-ethyl- m-Cresol, 5-ethyl- (8CI) Phenol, 3-ethyl-5-methyl- Phenol, 3-ethyl-5-methyl- (9CI) C9H12O 136.191 136.088815006 3-ethyl-5-methylphenol 3-ethyl-5-methylphenol 698-71-5 CCC1=CC(O)=CC(C)=C1 InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3 XTCHLXABLZQNNN-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 2.91 ALOGPS logs -1.88 ALOGPS solubility 1.82e+00 g/l ALOGPS melting_point Mp 54° (50-51°) logp 3.14 ChemAxon pka_strongest_acidic 10.23 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 3-ethyl-5-methylphenol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CCC1=CC(O)=CC(C)=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3 ChemAxon inchikey XTCHLXABLZQNNN-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.72 ChemAxon polarizability 15.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8078 Specdb::MsIr 8079 Specdb::MsIr 8080 Specdb::NmrOneD 30462 Specdb::NmrOneD 30463 Specdb::NmrOneD 30464 Specdb::NmrOneD 30465 Specdb::NmrOneD 30466 Specdb::NmrOneD 30467 Specdb::NmrOneD 30468 Specdb::NmrOneD 30469 Specdb::NmrOneD 30470 Specdb::NmrOneD 30471 Specdb::NmrOneD 30472 Specdb::NmrOneD 30473 Specdb::NmrOneD 30474 Specdb::NmrOneD 30475 Specdb::NmrOneD 30476 Specdb::NmrOneD 30477 Specdb::NmrOneD 30478 Specdb::NmrOneD 30479 Specdb::NmrOneD 30480 Specdb::NmrOneD 30481 Specdb::CMs 10024 Specdb::CMs 29488 Specdb::CMs 46186 Specdb::CMs 102004 Specdb::CMs 156160 Specdb::MsMs 61986 Specdb::MsMs 61987 Specdb::MsMs 61988 Specdb::MsMs 118635 Specdb::MsMs 118636 Specdb::MsMs 118637 Specdb::MsMs 2282185 Specdb::MsMs 2282186 Specdb::MsMs 2282187 Specdb::MsMs 3086125 Specdb::MsMs 3086126 Specdb::MsMs 3086127 HMDB38985 #<Reference:0x000055ce334b5940> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic