1.0 2016-10-28 19:05:26 UTC 2026-04-17 19:30:10 UTC 1,2,3-trimethylnaphthalene SmallMolecule 1,2,3-trimethylnaphthalene belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H14 and an average molecular weight of 170.25 g/mol. It is found in or released from one recorded source: food, food processing & cookware, specifically regarding fermentation processes for beer. C13H14 170.255 170.109550451 1,2,3-trimethylnaphthalene 1,2,3-trimethylnaphthalene 879-12-9 CC1=C(C)C(C)=C2C=CC=CC2=C1 InChI=1S/C13H14/c1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-8H,1-3H3 RQHPYGROUIBUSW-UHFFFAOYSA-N Organic compounds Benzenoids Naphthalenes Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons Aromatic homopolycyclic compound Aromatic hydrocarbon Hydrocarbon Naphthalene Polycyclic hydrocarbon Unsaturated hydrocarbon Aromatic homopolycyclic compounds Detected and Not Quantified logp 4.82 ALOGPS logs -5.14 ALOGPS solubility 1.23e-03 g/l ALOGPS logp 4.5 ChemAxon iupac 1,2,3-trimethylnaphthalene ChemAxon average_mass 170.255 ChemAxon mono_mass 170.109550451 ChemAxon smiles CC1=C(C)C(C)=C2C=CC=CC2=C1 ChemAxon formula C13H14 ChemAxon inchi InChI=1S/C13H14/c1-9-8-12-6-4-5-7-13(12)11(3)10(9)2/h4-8H,1-3H3 ChemAxon inchikey RQHPYGROUIBUSW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 57.63 ChemAxon polarizability 20.82 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf6b3220> 70145 63333