1.0 2010-04-08 22:09:30 UTC 2019-11-26 03:04:38 UTC FDB011162 Methoxypyrazine Methoxypyrazines are a class of chemical compounds that produce odors. The odors may be desirable, as in the case of certain wines, or undesirable, as in the case of the Asian Lady Beetle which produces isopropyl methoxy pyrazine (IPMP). They have also been identified as additives in cigarette manufacture. Detection thresholds are very low, typically near 2 parts per trillion (1 ng/L). Methoxypyrazine is found in cocoa and cocoa products and animal foods. 2-Methoxy-1,4-diazine 2-Methoxypyrazine FEMA 3302 Methoxy-pyrazine Methoxypyrazine Pyrazine, 2-methoxy- Pyrazine, methoxy- C5H6N2O 110.1139 110.048012824 2-methoxypyrazine 2-methoxypyrazine 3149-28-8 COC1=CN=CC=N1 InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3 WKSXRWSOSLGSTN-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring. Methoxypyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Alkyl aryl ethers Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Alkyl aryl ether Aromatic heteromonocyclic compound Azacycle Ether Heteroaromatic compound Hydrocarbon derivative Methoxypyrazine Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 0.59 ALOGPS logs 0.51 ALOGPS solubility 3.53e+02 g/l ALOGPS logp -0.025 ChemAxon pka_strongest_basic 0.32 ChemAxon iupac 2-methoxypyrazine ChemAxon average_mass 110.1139 ChemAxon mono_mass 110.048012824 ChemAxon smiles COC1=CN=CC=N1 ChemAxon formula C5H6N2O ChemAxon inchi InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3 ChemAxon inchikey WKSXRWSOSLGSTN-UHFFFAOYSA-N ChemAxon polar_surface_area 35.01 ChemAxon refractivity 28.52 ChemAxon polarizability 10.56 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11528 Specdb::CMs 134171 Specdb::CMs 141905 Specdb::MsIr 6002 Specdb::MsIr 6003 Specdb::NmrOneD 118418 Specdb::NmrOneD 118419 Specdb::NmrOneD 118420 Specdb::NmrOneD 118421 Specdb::NmrOneD 118422 Specdb::NmrOneD 118423 Specdb::NmrOneD 118424 Specdb::NmrOneD 118425 Specdb::NmrOneD 118426 Specdb::NmrOneD 118427 Specdb::NmrOneD 118428 Specdb::NmrOneD 118429 Specdb::NmrOneD 118430 Specdb::NmrOneD 118431 Specdb::NmrOneD 118432 Specdb::NmrOneD 118433 Specdb::NmrOneD 118434 Specdb::NmrOneD 118435 Specdb::NmrOneD 118436 Specdb::NmrOneD 118437 Specdb::MsMs 67101 Specdb::MsMs 67102 Specdb::MsMs 67103 Specdb::MsMs 124836 Specdb::MsMs 124837 Specdb::MsMs 124838 Specdb::MsMs 2286499 Specdb::MsMs 2286500 Specdb::MsMs 2286501 Specdb::MsMs 3082371 Specdb::MsMs 3082372 Specdb::MsMs 3082373 HMDB33156 #<Reference:0x000055ce3223bda0> #<Reference:0x000055ce3223bbe8> #<Reference:0x000055ce3223ba30> #<Reference:0x000055ce3223b800> #<Reference:0x000055ce3223b620> #<Reference:0x000055ce3223b468> #<Reference:0x000055ce3223b2b0> #<Reference:0x000055ce3223b0f8> #<Reference:0x000055ce3223af40> #<Reference:0x000055ce3223ad38> #<Reference:0x000055ce3223ab30> #<Reference:0x000055ce3223a978> #<Reference:0x000055ce3223a7c0> Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 cocoa nutty sweet