1.0 2010-04-08 22:06:33 UTC 2025-11-18 22:58:24 UTC FDB005153 2,3,5-Trimethylphenol 2,3,5-trimethylphenol, also known as 1-hydroxy-2,3,5-trimethylbenzene or isopseudocumenol, is a member of the class of compounds known as ortho cresols. Ortho cresols are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. 2,3,5-trimethylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,3,5-trimethylphenol can be synthesized from 1,2,4-trimethylbenzene. 2,3,5-trimethylphenol can also be synthesized into 2,3,5-trimethylphenyl methylcarbamate. 2,3,5-trimethylphenol can be found in arabica coffee, which makes 2,3,5-trimethylphenol a potential biomarker for the consumption of this food product. 1-Hydroxy-2, 3,5-trimethylbenzene 1-Hydroxy-2,3,5-trimethylbenzene 6-HYDROXYPSEUDOCUMENE Isopseudocumenol Phenol, 2,3,5-trimethyl- Phenol, 2,3,5(or 3,4,5)-trimethyl- Trimethylphenol C9H12O 136.191 136.088815006 2,3,5-trimethylphenol 2,3,5-trimethylphenol 697-82-5 CC1=CC(C)=C(C)C(O)=C1 InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3 OGRAOKJKVGDSFR-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-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Hydrocarbon derivatives Meta cresols Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative M-cresol Monocyclic benzene moiety O-cresol Organic oxygen compound Organooxygen compound phenols logp 2.73 ALOGPS logs -1.86 ALOGPS solubility 1.88e+00 g/l ALOGPS melting_point 93.5 oC logp 3.21 ChemAxon pka_strongest_acidic 10.57 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 2,3,5-trimethylphenol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CC1=CC(C)=C(C)C(O)=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3 ChemAxon inchikey OGRAOKJKVGDSFR-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 43.16 ChemAxon polarizability 15.99 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77616 Specdb::MsMs 77617 Specdb::MsMs 77618 Specdb::MsMs 137784 Specdb::MsMs 137785 Specdb::MsMs 137786 Specdb::MsMs 3601430 Specdb::MsMs 3601431 Specdb::MsMs 3601432 Specdb::MsMs 3601433 Specdb::MsMs 3601434 Specdb::MsMs 3601435 38570 Arabica coffee Type 1 specific Coffea arabica 13443