1.0 2010-04-08 22:07:06 UTC 2025-11-18 23:01:40 UTC FDB006364 4,5-Dimethyl-2-ethylphenol 4,5-dimethyl-2-ethylphenol is a member of the class of compounds known as para cresols. Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4. 4,5-dimethyl-2-ethylphenol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4,5-dimethyl-2-ethylphenol can be found in pot marjoram, which makes 4,5-dimethyl-2-ethylphenol a potential biomarker for the consumption of this food product. 1-Hydroxy-3, 4-dimethyl-6-ethylbenzene 1-Hydroxy-3,4-dimethyl-6-ethylbenzene 2-Ethyl-4,5-dimethylphenol 3,4-DIMETHYL-6-ETHYLPHENOLE 3,4-Xylenol, 6-ethyl- 4, 5-Dimethyl-2-ethylphenol 6-Ethyl-3,4-dimethylphenol Phenol, 2-ethyl-4,5-dimethyl- C10H14O 150.2176 150.10446507 2-ethyl-4,5-dimethylphenol 2-ethyl-4,5-dimethylphenol CCC1=CC(C)=C(C)C=C1O InChI=1S/C10H14O/c1-4-9-5-7(2)8(3)6-10(9)11/h5-6,11H,4H2,1-3H3 ZUDAICPAUJSPHK-UHFFFAOYSA-N belongs to the class of organic compounds known as para cresols. Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4. Para cresols Organic compounds Benzenoids Phenols Cresols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Meta cresols Organooxygen compounds o-Xylenes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative M-cresol Monocyclic benzene moiety O-xylene Organic oxygen compound Organooxygen compound P-cresol Xylene logp 3.31 ALOGPS logs -2.25 ALOGPS solubility 8.48e-01 g/l ALOGPS logp 3.65 ChemAxon pka_strongest_acidic 10.74 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 2-ethyl-4,5-dimethylphenol ChemAxon average_mass 150.2176 ChemAxon mono_mass 150.10446507 ChemAxon smiles CCC1=CC(C)=C(C)C=C1O ChemAxon formula C10H14O ChemAxon inchi InChI=1S/C10H14O/c1-4-9-5-7(2)8(3)6-10(9)11/h5-6,11H,4H2,1-3H3 ChemAxon inchikey ZUDAICPAUJSPHK-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 47.76 ChemAxon polarizability 17.92 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83805 Specdb::MsMs 83806 Specdb::MsMs 83807 Specdb::MsMs 145491 Specdb::MsMs 145492 Specdb::MsMs 145493 Specdb::MsMs 3602855 Specdb::MsMs 3602856 Specdb::MsMs 3602857 Specdb::MsMs 3602858 Specdb::MsMs 3602859 Specdb::MsMs 3602860 Pot marjoram Type 1 specific Origanum onites 452416 0.0 0.0 0.0 mg/100 g