1.0 2010-04-08 22:08:07 UTC 2019-11-26 03:02:44 UTC FDB008533 2-Ethylpyrazine 2-Ethylpyrazine is a flavouring ingredient. It is found in many foods, some of which are nuts, crustaceans, cocoa and cocoa products, and cereals and cereal products. 2-Ethyl-1,4-diazine 2-Ethyl-pyrazine Ethyl-pyrazine Ethylpyrazine FEMA 3281 FEMA no. 3281 Moldin Pyrazine, 2-ethyl- Pyrazine, ethyl- C6H8N2 108.1411 108.068748266 2-ethylpyrazine 2-ethyl pyrazine 13925-00-3 CCC1=CN=CC=N1 InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3 KVFIJIWMDBAGDP-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 pyrazines logp 0.87 ALOGPS logs 0.28 ALOGPS solubility 2.06e+02 g/l ALOGPS logp 0.37 ChemAxon pka_strongest_basic 1.27 ChemAxon iupac 2-ethylpyrazine ChemAxon average_mass 108.1411 ChemAxon mono_mass 108.068748266 ChemAxon smiles CCC1=CN=CC=N1 ChemAxon formula C6H8N2 ChemAxon inchi InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3 ChemAxon inchikey KVFIJIWMDBAGDP-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 30.96 ChemAxon polarizability 11.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3832 Specdb::NmrOneD 4099 Specdb::EiMs 1963 Specdb::CMs 11209 Specdb::CMs 29394 Specdb::CMs 100973 Specdb::CMs 155554 Specdb::MsIr 4948 Specdb::MsIr 4949 Specdb::MsMs 290758 Specdb::MsMs 290759 Specdb::MsMs 290760 Specdb::MsMs 330502 Specdb::MsMs 330503 Specdb::MsMs 330504 Specdb::MsMs 1476808 Specdb::MsMs 1476809 Specdb::MsMs 1476810 Specdb::MsMs 1476811 Specdb::MsMs 1476812 Specdb::MsMs 1476813 Specdb::MsMs 1476814 Specdb::MsMs 2660446 Specdb::MsMs 2660447 Specdb::MsMs 2660448 Specdb::MsMs 3018582 Specdb::MsMs 3018583 Specdb::MsMs 3018584 HMDB31849 #<Reference:0x000055ce33288050> #<Reference:0x00007f093c08be60> #<Reference:0x00007f093c08bca8> #<Reference:0x00007f093c08baf0> #<Reference:0x00007f093c08b910> #<Reference:0x00007f093c08b758> #<Reference:0x00007f093c08b578> #<Reference:0x00007f093c08b398> #<Reference:0x00007f093c08b1e0> #<Reference:0x00007f093c08b000> #<Reference:0x00007f093c08ae48> #<Reference:0x00007f093c08ac68> #<Reference:0x00007f093c08aa60> Arabica coffee Type 1 specific Coffea arabica 13443 Asparagus Type 1 specific Asparagus officinalis 4686 Black tea Type 1 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Coffee and coffee products Unknown generic Crustaceans Unknown generic 6657 Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Mollusks Unknown generic 6447 Nuts Unknown generic Potato Type 1 specific Solanum tuberosum 4113 Pulses Unknown generic Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Taco Type 2 specific 0.0 0.0 0.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Tortilla chip Type 2 specific bitter butter cocoa musty nutty peanut peanut butter peanutbutter roasted wood woody