1.0 2010-04-08 22:05:22 UTC 2019-11-26 02:57:24 UTC FDB002413 2,5-Dimethylphenol Present 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-dimethylbenzene 1,2,5-Xylenol 1,4-Dimethyl-2-hydroxybenzene 2-Hydroxy-p-xylene 2,5-Dimethyl phenol 2,5-Dimethyl-phenol 2,5-Xylenol 2,5-Xylenol, 8CI 2,5'-Xylenol 3,6-Dimethylphenol 3,6-Xylenol 6-Methyl-m-cresol FEMA 3595 Hydroxy-p-xylene p-2-Xylenol P-xylenol Phenol, 2,5-dimethyl- C8H10O 122.1644 122.073164942 2,5-dimethylphenol 2,5-dimethylphenol 95-87-4 CC1=CC(O)=C(C)C=C1 InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 NKTOLZVEWDHZMU-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-Xylenols Organic compounds Benzenoids Benzene and substituted derivatives Xylenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Meta cresols Organooxygen compounds Ortho cresols p-Xylenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative M-cresol O-cresol Organic oxygen compound Organooxygen compound P-xylene P-xylenol Phenol Solid logp 2.35 ALOGPS logs -1.30 ALOGPS solubility 6.13e+00 g/l ALOGPS melting_point Mp 71-73° logp 2.7 ChemAxon pka_strongest_acidic 10.47 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 2,5-dimethylphenol ChemAxon average_mass 122.1644 ChemAxon mono_mass 122.073164942 ChemAxon smiles CC1=CC(O)=C(C)C=C1 ChemAxon formula C8H10O ChemAxon inchi InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 ChemAxon inchikey NKTOLZVEWDHZMU-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 38.12 ChemAxon polarizability 13.99 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3938 Specdb::MsIr 3939 Specdb::MsIr 3940 Specdb::MsMs 66573 Specdb::MsMs 66574 Specdb::MsMs 66575 Specdb::MsMs 124173 Specdb::MsMs 124174 Specdb::MsMs 124175 Specdb::MsMs 2715640 Specdb::MsMs 2715641 Specdb::MsMs 2715642 Specdb::MsMs 2966814 Specdb::MsMs 2966815 Specdb::MsMs 2966816 Specdb::NmrOneD 161869 Specdb::NmrOneD 161870 Specdb::NmrOneD 161871 Specdb::NmrOneD 161872 Specdb::NmrOneD 161873 Specdb::NmrOneD 161874 Specdb::NmrOneD 161875 Specdb::NmrOneD 161876 Specdb::NmrOneD 161877 Specdb::NmrOneD 161878 Specdb::NmrOneD 161879 Specdb::NmrOneD 161880 Specdb::NmrOneD 161881 Specdb::NmrOneD 161882 Specdb::NmrOneD 161883 Specdb::NmrOneD 161884 Specdb::NmrOneD 161885 Specdb::NmrOneD 161886 Specdb::NmrOneD 161887 Specdb::NmrOneD 161888 Specdb::CMs 19525 Specdb::CMs 26735 Specdb::CMs 27704 Specdb::CMs 27705 Specdb::CMs 29712 Specdb::CMs 29773 Specdb::CMs 41980 Specdb::CMs 100550 Specdb::CMs 100551 Specdb::CMs 100552 Specdb::CMs 100553 Specdb::CMs 100554 Specdb::CMs 150814 HMDB30540 #<Reference:0x000055ce326db6d0> 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 bacon naphthyl phenolic smoke sweet