1.0 2010-04-08 22:07:22 UTC 2025-11-18 23:03:10 UTC FDB006937 Mesity alcohol 2,4,6-Trimethylphenol, also known as Mesitol, belongs to the class of organic compounds known as para-cresols. Para cresols are compounds containing a para-cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and a methyl group at position 4 (para-hydroxytoluene). 2,4,6-Trimethylphenol is a mild and phenolic tasting compound. 2,4,6-Trimethylphenol is an aromatic chemical compound having three methyl groups and one hydroxy group. The name and structure of mesitol derives from the combination of mesitylene and phenol. 2,4,6-Trimethylphenol or Mesitol can be obtained by reaction of mesitylene with peroxomonophosphoric acid. Mesitol is listed by the FDA as being used as a food additive. C9H12O 136.191 136.088815006 2,4,6-trimethylphenol 2,4,6-trimethylphenol 527-60-6 CC1=CC(C)=C(O)C(C)=C1 InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3 BPRYUXCVCCNUFE-UHFFFAOYSA-N belongs to the class of organic compounds known as para cresols. Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4. Para cresols Organic compounds Benzenoids Phenols Cresols Aromatic homomonocyclic compounds Benzene and substituted derivatives Hydrocarbon derivatives Organooxygen compounds Ortho cresols Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety O-cresol Organic oxygen compound Organooxygen compound P-cresol logp 2.72 ALOGPS logs -1.84 ALOGPS solubility 1.97e+00 g/l ALOGPS logp 3.21 ChemAxon pka_strongest_acidic 11.07 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 2,4,6-trimethylphenol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CC1=CC(C)=C(O)C(C)=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3 ChemAxon inchikey BPRYUXCVCCNUFE-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 43.16 ChemAxon polarizability 16.05 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19180 Specdb::CMs 27691 Specdb::CMs 42845 Specdb::CMs 101157 Specdb::CMs 131187 Specdb::CMs 138921 Specdb::MsIr 5524 Specdb::MsIr 5525 Specdb::MsIr 5526 Specdb::MsMs 79983 Specdb::MsMs 79984 Specdb::MsMs 79985 Specdb::MsMs 140700 Specdb::MsMs 140701 Specdb::MsMs 140702 Specdb::MsMs 2791157 Specdb::MsMs 2791158 Specdb::MsMs 2791159 Specdb::MsMs 2914406 Specdb::MsMs 2914407 Specdb::MsMs 2914408 Specdb::NmrOneD 113838 Specdb::NmrOneD 113839 Specdb::NmrOneD 113840 Specdb::NmrOneD 113841 Specdb::NmrOneD 113842 Specdb::NmrOneD 113843 Specdb::NmrOneD 113844 Specdb::NmrOneD 113845 Specdb::NmrOneD 113846 Specdb::NmrOneD 113847 Specdb::NmrOneD 113848 Specdb::NmrOneD 113849 Specdb::NmrOneD 113850 Specdb::NmrOneD 113851 Specdb::NmrOneD 113852 Specdb::NmrOneD 113853 Specdb::NmrOneD 113854 Specdb::NmrOneD 113855 Specdb::NmrOneD 113856 Specdb::NmrOneD 113857 HMDB0032544 Rosemary Type 1 specific Rosmarinus officinalis 39367 11.5 11.5 11.5 mg/100 g