1.02010-04-08 22:05:22 UTC2019-11-26 02:57:24 UTCFDB0024132,5-DimethylphenolPresent in coffee and whisky. Flavouring ingredient. 2,5-Dimethylphenol is found in arabica coffee, alcoholic beverages, and coffee and coffee products.1-Hydroxy-2,5-dimethylbenzene1,2,5-Xylenol1,4-Dimethyl-2-hydroxybenzene2-Hydroxy-p-xylene2,5-Dimethyl phenol2,5-Dimethyl-phenol2,5-Xylenol2,5-Xylenol, 8CI2,5'-Xylenol3,6-Dimethylphenol3,6-Xylenol6-Methyl-m-cresolFEMA 3595Hydroxy-p-xylenep-2-XylenolP-xylenolPhenol, 2,5-dimethyl-C8H10O122.1644122.0731649422,5-dimethylphenol2,5-dimethylphenol95-87-4CC1=CC(O)=C(C)C=C1InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3NKTOLZVEWDHZMU-UHFFFAOYSA-N belongs to the class of organic compounds known as p-xylenols. These are aromatic compounds that contain a p-xylenol moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions, and at least one hydroxyl group.p-XylenolsOrganic compoundsBenzenoidsBenzene and substituted derivativesXylenesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsHydrocarbon derivativesMeta cresolsOrganooxygen compoundsOrtho cresolsp-Xylenes1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homomonocyclic compoundHydrocarbon derivativeM-cresolO-cresolOrganic oxygen compoundOrganooxygen compoundP-xyleneP-xylenolPhenolSolidlogp2.35logs-1.30solubility6.13e+00 g/lmelting_pointMp 71-73°logp2.7pka_strongest_acidic10.47pka_strongest_basic-5.5iupac2,5-dimethylphenolaverage_mass122.1644mono_mass122.073164942smilesCC1=CC(O)=C(C)C=C1formulaC8H10OinchiInChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3inchikeyNKTOLZVEWDHZMU-UHFFFAOYSA-Npolar_surface_area20.23refractivity38.12polarizability13.99rotatable_bond_count0acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsIr3938Specdb::MsIr3939Specdb::MsIr3940Specdb::NmrOneD161869Specdb::NmrOneD161870Specdb::NmrOneD161871Specdb::NmrOneD161872Specdb::NmrOneD161873Specdb::NmrOneD161874Specdb::NmrOneD161875Specdb::NmrOneD161876Specdb::NmrOneD161877Specdb::NmrOneD161878Specdb::NmrOneD161879Specdb::NmrOneD161880Specdb::NmrOneD161881Specdb::NmrOneD161882Specdb::NmrOneD161883Specdb::NmrOneD161884Specdb::NmrOneD161885Specdb::NmrOneD161886Specdb::NmrOneD161887Specdb::NmrOneD161888Specdb::CMs19525Specdb::CMs26735Specdb::CMs27704Specdb::CMs27705Specdb::CMs29712Specdb::CMs29773Specdb::CMs41980Specdb::CMs100550Specdb::CMs100551Specdb::CMs100552Specdb::CMs100553Specdb::CMs100554Specdb::CMs150814Specdb::MsMs66573Specdb::MsMs66574Specdb::MsMs66575Specdb::MsMs124173Specdb::MsMs124174Specdb::MsMs124175Specdb::MsMs2715640Specdb::MsMs2715641Specdb::MsMs2715642Specdb::MsMs2966814Specdb::MsMs2966815Specdb::MsMs2966816HMDB30540#<Reference:0x00005556732c6b30>Alcoholic beveragesUnknowngenericArabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericRobusta coffeeType 1specificCoffea canephora49390baconnaphthylphenolicsmokesweet