1.0 2010-04-08 22:14:33 UTC 2019-11-26 03:17:48 UTC FDB019739 2-Isopropyl-5-methoxypyrazine Flavouring ingredient. Reported in asparagus, cabbage, peas, carrot, cucumber, lettuce, onion, potato, bell pepper, ginger, white wine, coffee, peanut, beans, beetroot, parsnip and dill. 2-Isopropyl-5-methoxypyrazine is found in many foods, some of which are fruits, root vegetables, nuts, and brassicas. 2-Isopropyl-5-methoxypyrazine C8H12N2O 152.1937 152.094963016 2-methoxy-5-(propan-2-yl)pyrazine 2-isopropyl-5-methoxypyrazine COC1=NC=C(N=C1)C(C)C InChI=1S/C8H12N2O/c1-6(2)7-4-10-8(11-3)5-9-7/h4-6H,1-3H3 GSVQZEKWEURMLP-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 2.09 ALOGPS logs -0.43 ALOGPS solubility 5.71e+01 g/l ALOGPS logp 1.35 ChemAxon pka_strongest_basic 0.54 ChemAxon iupac 2-methoxy-5-(propan-2-yl)pyrazine ChemAxon average_mass 152.1937 ChemAxon mono_mass 152.094963016 ChemAxon smiles COC1=NC=C(N=C1)C(C)C ChemAxon formula C8H12N2O ChemAxon inchi InChI=1S/C8H12N2O/c1-6(2)7-4-10-8(11-3)5-9-7/h4-6H,1-3H3 ChemAxon inchikey GSVQZEKWEURMLP-UHFFFAOYSA-N ChemAxon polar_surface_area 35.01 ChemAxon refractivity 42.31 ChemAxon polarizability 16.64 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16694 Specdb::CMs 152091 Specdb::MsIr 8558 Specdb::MsIr 8559 Specdb::NmrOneD 38182 Specdb::NmrOneD 38183 Specdb::NmrOneD 38184 Specdb::NmrOneD 38185 Specdb::NmrOneD 38186 Specdb::NmrOneD 38187 Specdb::NmrOneD 38188 Specdb::NmrOneD 38189 Specdb::NmrOneD 38190 Specdb::NmrOneD 38191 Specdb::NmrOneD 38192 Specdb::NmrOneD 38193 Specdb::NmrOneD 38194 Specdb::NmrOneD 38195 Specdb::NmrOneD 38196 Specdb::NmrOneD 38197 Specdb::NmrOneD 38198 Specdb::NmrOneD 38199 Specdb::NmrOneD 38200 Specdb::NmrOneD 38201 Specdb::MsMs 302881 Specdb::MsMs 302882 Specdb::MsMs 302883 Specdb::MsMs 345700 Specdb::MsMs 345701 Specdb::MsMs 345702 Specdb::MsMs 2730124 Specdb::MsMs 2730125 Specdb::MsMs 2730126 Specdb::MsMs 2975831 Specdb::MsMs 2975832 Specdb::MsMs 2975833 HMDB40052 #<Reference:0x000055ce320c3310> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Brassicas Unknown generic 3705 Coffee and coffee products Unknown generic Fruits Unknown generic Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Green vegetables Unknown generic Herbs and Spices Unknown generic Nuts Unknown generic Onion-family vegetables Unknown generic Potato Type 1 specific Solanum tuberosum 4113 Pulses Unknown generic Red onion Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Root vegetables Unknown generic Welsh onion Type 1 specific Allium fistulosum 35875