1.0 2010-04-08 22:14:44 UTC 2019-11-26 03:18:20 UTC FDB020021 2-Ethyl-3,5-dimethylpyrazine Isolated from coffee aromaand is) also present in raw asparagus, wheat bread, other breads, smoked fatty fish, roast chicken, roast beef, lamb and mutton liver, black tea, hydrolyzed soy protein and other foods. Organoleptic agent. Flavouring agent. 2-Ethyl-3,5-dimethylpyrazine is found in many foods, some of which are animal foods, coffee and coffee products, tea, and cereals and cereal products. 2-Ethyl-3,5-dimethyl pyrazine 2-Ethyl-3,5-dimethyl-pyrazine 2-Ethyl-3,5(6)-dimethyl-pyrazine 2,6-Dimethyl-3-ethyl-pyrazine 2,6-Dimethyl-3-ethylpyrazine 3-Ethyl-2,6-dimethylpyrazine 3,5-Dimethyl-2-ethyl-pyrazine 3,5-Dimethyl-2-ethylpyrazine FEMA 3150 Pyrazine, 2-ethyl-3,5-dimethyl- Pyrazine, 2,6-dimethyl-3-ethyl- Pyrazine, 3-ethyl-2,6-dimethyl Pyrazine, 3,5-dimethyl-2-ethyl- C8H12N2 136.1943 136.100048394 2-ethyl-3,5-dimethylpyrazine 2-ethyl-3,5-dimethylpyrazine 13925-07-0 CCC1=C(C)N=C(C)C=N1 InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3 JZBCTZLGKSYRSF-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Pyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds 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 logp 1.59 ALOGPS logs -0.80 ALOGPS solubility 2.15e+01 g/l ALOGPS logp 0.63 ChemAxon pka_strongest_basic 2.02 ChemAxon iupac 2-ethyl-3,5-dimethylpyrazine ChemAxon average_mass 136.1943 ChemAxon mono_mass 136.100048394 ChemAxon smiles CCC1=C(C)N=C(C)C=N1 ChemAxon formula C8H12N2 ChemAxon inchi InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3 ChemAxon inchikey JZBCTZLGKSYRSF-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 40.15 ChemAxon polarizability 15.88 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8899 Specdb::MsIr 8900 Specdb::MsMs 107328 Specdb::MsMs 107329 Specdb::MsMs 107330 Specdb::MsMs 174285 Specdb::MsMs 174286 Specdb::MsMs 174287 Specdb::MsMs 2692508 Specdb::MsMs 2692509 Specdb::MsMs 2692510 Specdb::MsMs 2990255 Specdb::MsMs 2990256 Specdb::MsMs 2990257 Specdb::CMs 3132 Specdb::CMs 137504 Specdb::CMs 145238 Specdb::NmrOneD 39702 Specdb::NmrOneD 39703 Specdb::NmrOneD 39704 Specdb::NmrOneD 39705 Specdb::NmrOneD 39706 Specdb::NmrOneD 39707 Specdb::NmrOneD 39708 Specdb::NmrOneD 39709 Specdb::NmrOneD 39710 Specdb::NmrOneD 39711 Specdb::NmrOneD 39712 Specdb::NmrOneD 39713 Specdb::NmrOneD 39714 Specdb::NmrOneD 39715 Specdb::NmrOneD 39716 Specdb::NmrOneD 39717 Specdb::NmrOneD 39718 Specdb::NmrOneD 39719 Specdb::NmrOneD 39720 Specdb::NmrOneD 39721 HMDB40299 #<Reference:0x0000561271827ec0> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Fishes Unknown generic Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442 Tortilla chip Type 2 specific burnt almonds coffee potato roast roasted nuts