1.0 2010-04-08 22:08:18 UTC 2025-11-18 23:14:35 UTC FDB008878 2,6-Dimethylphenol Present in whisky and coffee. Flavouring ingredient. 2,6-Dimethylphenol is found in alcoholic beverages and coffee and coffee products. 1-Hydroxy-2, 6-dimethylbenzene 1-Hydroxy-2,6-dimethylbenzene 1,3-Dimethyl-2-hydroxybenzene 1,3,2-Xylenol 2-Hydroxy-1,3-dimethylbenzene 2-Hydroxy-m-xylene 2,6-Dimethyl-phenol 2,6-Xylenol, 8CI Dimethylphenol, 2,6- FEMA 3249 m-2-Xylenol Phenol, 2,6-dimethyl- C8H10O 122.1644 122.073164942 2,6-dimethylphenol 2,6-dimethylphenol 576-26-1 CC1=CC=CC(C)=C1O InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 NXXYKOUNUYWIHA-UHFFFAOYSA-N belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. Ortho cresols Organic compounds Benzenoids Phenols Cresols Aromatic homomonocyclic compounds 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds m-Xylenes 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative M-xylene Monocyclic benzene moiety O-cresol Organic oxygen compound Organooxygen compound Xylene logp 2.32 ALOGPS logs -1.30 ALOGPS solubility 6.18e+00 g/l ALOGPS melting_point Mp 49° logp 2.7 ChemAxon pka_strongest_acidic 10.73 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 2,6-dimethylphenol ChemAxon average_mass 122.1644 ChemAxon mono_mass 122.073164942 ChemAxon smiles CC1=CC=CC(C)=C1O ChemAxon formula C8H10O ChemAxon inchi InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 ChemAxon inchikey NXXYKOUNUYWIHA-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 38.12 ChemAxon polarizability 13.89 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44496 Specdb::MsMs 44497 Specdb::MsMs 44498 Specdb::MsMs 167793 Specdb::MsMs 167794 Specdb::MsMs 167795 Specdb::MsMs 2423144 Specdb::MsMs 2423145 Specdb::MsMs 2423146 Specdb::MsMs 2513237 Specdb::MsMs 2513238 Specdb::MsMs 2513239 Specdb::EiMs 579 Specdb::MsIr 5133 Specdb::MsIr 5134 Specdb::MsIr 5135 Specdb::NmrOneD 2492 Specdb::NmrOneD 3189 Specdb::NmrOneD 112078 Specdb::NmrOneD 112079 Specdb::NmrOneD 112080 Specdb::NmrOneD 112081 Specdb::NmrOneD 112082 Specdb::NmrOneD 112083 Specdb::NmrOneD 112084 Specdb::NmrOneD 112085 Specdb::NmrOneD 112086 Specdb::NmrOneD 112087 Specdb::NmrOneD 112088 Specdb::NmrOneD 112089 Specdb::NmrOneD 112090 Specdb::NmrOneD 112091 Specdb::NmrOneD 112092 Specdb::NmrOneD 112093 Specdb::NmrOneD 112094 Specdb::NmrOneD 112095 Specdb::NmrOneD 112096 Specdb::NmrOneD 112097 Specdb::CMs 16734 Specdb::CMs 26733 Specdb::CMs 27703 Specdb::CMs 29100 Specdb::CMs 29711 Specdb::CMs 42775 Specdb::CMs 101084 Specdb::CMs 101085 Specdb::CMs 101086 Specdb::CMs 101087 Specdb::CMs 146440 HMDB32150 2MY #<Reference:0x000055ce302c5d68> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 coffee medicinal phenolic rooty sweet