1.0 2010-04-08 22:08:17 UTC 2025-11-18 23:14:20 UTC FDB008861 4-Methyl-1,2-benzenediol 4-methylcatechol is a metabolite of homoprotocatechuic acid. It is both a substrate and a suicide inhibitor of Catechol 2,3-dioxygenase [EC 1.3.11.2]. (PMID 15006807) [HMDB]. 4-Methyl-1,2-benzenediol is found in many foods, some of which are coffee, beer, arabica coffee, and cocoa powder. 1-Methyl-3,4-dihydroxybenzene 1,2-Dihydroxy-4-methylbenzene 2-Hydroxy-4-methylphenol 3,4-Dihydroxytoluene 4-Methyl-1,2-dihydroxybenzene 4-Methyl-pyrocatechol 4-Methylcatechol 4-Methylcatehol 4-Methylpyrocatechol 4-Metylcatechol 5-Methylcatechol Homocatechol Homopyrocatechol P-Methylcatechol P-Methylpyrocatechol Toluene-3,4-diol C7H8O2 124.1372 124.0524295 4-methylbenzene-1,2-diol 4-methyl-1,2-benzenediol 452-86-8 CC1=CC=C(O)C(O)=C1 InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Catechols Organic compounds Benzenoids Phenols Benzenediols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Meta cresols Organooxygen compounds Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Catechol Hydrocarbon derivative M-cresol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound P-cresol Toluene a catechol methylcatechol Solid logp 1.02 ALOGPS logs -0.52 ALOGPS solubility 3.79e+01 g/l ALOGPS logp 1.88 ChemAxon pka_strongest_acidic 9.55 ChemAxon pka_strongest_basic -6.2 ChemAxon iupac 4-methylbenzene-1,2-diol ChemAxon average_mass 124.1372 ChemAxon mono_mass 124.0524295 ChemAxon smiles CC1=CC=C(O)C(O)=C1 ChemAxon formula C7H8O2 ChemAxon inchi InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ChemAxon inchikey ZBCATMYQYDCTIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 35.06 ChemAxon polarizability 12.82 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1520 Specdb::MsIr 42 Specdb::MsIr 50 Specdb::MsIr 932 Specdb::MsIr 933 Specdb::MsIr 934 Specdb::NmrOneD 1578 Specdb::NmrOneD 20962 Specdb::NmrOneD 20963 Specdb::NmrOneD 20964 Specdb::NmrOneD 20965 Specdb::NmrOneD 20966 Specdb::NmrOneD 20967 Specdb::NmrOneD 20968 Specdb::NmrOneD 20969 Specdb::NmrOneD 20970 Specdb::NmrOneD 20971 Specdb::NmrOneD 20972 Specdb::NmrOneD 20973 Specdb::NmrOneD 20974 Specdb::NmrOneD 20975 Specdb::NmrOneD 20976 Specdb::NmrOneD 20977 Specdb::NmrOneD 20978 Specdb::NmrOneD 20979 Specdb::NmrOneD 20980 Specdb::NmrOneD 20981 Specdb::CMs 5726 Specdb::CMs 31786 Specdb::CMs 37817 Specdb::CMs 99626 Specdb::CMs 148625 Specdb::CMs 1080710 Specdb::CMs 1080712 Specdb::CMs 1080714 Specdb::CMs 1080715 Specdb::CMs 1080717 Specdb::MsMs 1232 Specdb::MsMs 1233 Specdb::MsMs 1234 Specdb::MsMs 240325 Specdb::MsMs 240326 Specdb::MsMs 240327 Specdb::MsMs 242380 Specdb::MsMs 242381 Specdb::MsMs 242382 Specdb::MsMs 440173 Specdb::MsMs 2238132 Specdb::MsMs 2239465 Specdb::MsMs 2244309 Specdb::MsMs 2245816 Specdb::MsMs 2246395 Specdb::MsMs 2247875 Specdb::MsMs 2248520 Specdb::MsMs 2249874 Specdb::MsMs 2250554 Specdb::MsMs 2251819 Specdb::MsMs 2464587 Specdb::MsMs 2464588 Specdb::MsMs 2464589 Specdb::MsMs 2500838 Specdb::MsMs 2500839 HMDB00873 MCT #<Reference:0x000055ce302aa8d8> #<Reference:0x000055ce302aa6f8> #<Reference:0x000055ce302aa540> #<Reference:0x000055ce302aa388> #<Reference:0x000055ce302aa1d0> #<Reference:0x000055ce302aa018> #<Reference:0x000055ce302a9de8> #<Reference:0x000055ce302a9c08> #<Reference:0x000055ce302a9a50> #<Reference:0x000055ce302a9898> Anatidae Type 1 specific Anatidae 8830 Arabica coffee Type 1 specific Coffea arabica 13443 0.04005 0.0407 0.0394 mg/100 g Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.0011 0.0022 0.0 mg/100 g Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Cocoa powder Type 2 specific 0.0098 0.0098 0.0098 mg/100 g Coffee Type 1 generic Coffea 13442 0.0394 0.0394 0.0394 mg/100 g Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Eggplant Type 1 specific Solanum melongena 4111 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Robusta coffee Type 1 specific Coffea canephora 49390 0.0394 0.0394 0.0394 mg/100 g Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823