1.0 2016-05-25 23:20:54 UTC 2026-04-16 22:46:29 UTC 2-Ethyl-3,(5 or 6)-dimethylpyrazine SmallMolecule 2-Ethyl-3,(5 or 6)-dimethylpyrazine belongs to the pyrazines, a subclass of diazines within the organic compounds. This organoheterocyclic compound has the chemical formula C8H12N2 and an average molecular weight of 136.19 g/mol. In industrial applications, the compound is utilized as a fragrance, as well as a flavouring and nutrient. It is identified in twelve recorded sources. Within the category of household cleaning and consumer products, it is found in bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, pipe accessories, and three additional sources. It is also associated with food, food processing and cookware, specifically in food contact materials and the preparation of vinegar, wine, or sparkling wine. Furthermore, it is found in electrical and electronic equipment, specifically electrically stimulated smoking devices. Recorded exposure routes for this substance include inhalation, oral, and touch. 3-Ethyl-2,5-dimethylpyrazine C8H12N2 136.1943 136.100048394 3-ethyl-2,5-dimethylpyrazine 3-ethyl-2,5-dimethylpyrazine 27043-05-6 CCC1=NC(C)=CN=C1C InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3 WHMWOHBXYIZFPF-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazines Pyrazines Pyrazines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazine Aromatic heteromonocyclic compounds Detected and Not Quantified logp 1.59 ALOGPS logs -0.80 ALOGPS solubility 2.14e+01 g/l ALOGPS logp 0.63 ChemAxon pka_strongest_basic 1.93 ChemAxon iupac 3-ethyl-2,5-dimethylpyrazine ChemAxon average_mass 136.1943 ChemAxon mono_mass 136.100048394 ChemAxon smiles CCC1=NC(C)=CN=C1C ChemAxon formula C8H12N2 ChemAxon inchi InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3 ChemAxon inchikey WHMWOHBXYIZFPF-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 40.15 ChemAxon polarizability 15.86 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222243c18> 25916 24145