1.0 2010-04-08 22:14:46 UTC 2019-11-26 03:18:25 UTC FDB020065 2-Isopropyl-3-methoxypyrazine Occurs in petitgrain and galbanum oil. Perfumery and flavouring ingredient. Associated with musty/earthy aromas of marine fish, cheeses, drinking water and a wide range of vegetables. Component of *FEMA 3358*. 2-Isopropyl-3-methoxypyrazine is found in many foods, some of which are red bell pepper, green bell pepper, fishes, and pepper (c. annuum). 2-Isopropyl-3-methoxypyrazine 3-Isopropyl-2-methoxypyrazine C8H12N2O 152.1937 152.094963016 2-methoxy-3-(propan-2-yl)pyrazine 2-methoxy-3-isopropylpyrazine 25773-40-4 COC1=NC=CN=C1C(C)C InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 NTOPKICPEQUPPH-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 2.08 ALOGPS logs -0.39 ALOGPS solubility 6.14e+01 g/l ALOGPS logp 1.35 ChemAxon pka_strongest_basic 0.88 ChemAxon iupac 2-methoxy-3-(propan-2-yl)pyrazine ChemAxon average_mass 152.1937 ChemAxon mono_mass 152.094963016 ChemAxon smiles COC1=NC=CN=C1C(C)C ChemAxon formula C8H12N2O ChemAxon inchi InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 ChemAxon inchikey NTOPKICPEQUPPH-UHFFFAOYSA-N ChemAxon polar_surface_area 35.01 ChemAxon refractivity 42.31 ChemAxon polarizability 16.41 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1817 Specdb::MsMs 178422 Specdb::MsMs 178423 Specdb::MsMs 178424 Specdb::MsMs 180741 Specdb::MsMs 180742 Specdb::MsMs 180743 Specdb::MsMs 2747188 Specdb::MsMs 2747189 Specdb::MsMs 2747190 Specdb::MsMs 2931279 Specdb::MsMs 2931280 Specdb::MsMs 2931281 Specdb::MsIr 8917 Specdb::MsIr 8918 Specdb::CMs 2551 Specdb::CMs 148273 Specdb::NmrOneD 39882 Specdb::NmrOneD 39883 Specdb::NmrOneD 39884 Specdb::NmrOneD 39885 Specdb::NmrOneD 39886 Specdb::NmrOneD 39887 Specdb::NmrOneD 39888 Specdb::NmrOneD 39889 Specdb::NmrOneD 39890 Specdb::NmrOneD 39891 Specdb::NmrOneD 39892 Specdb::NmrOneD 39893 Specdb::NmrOneD 39894 Specdb::NmrOneD 39895 Specdb::NmrOneD 39896 Specdb::NmrOneD 39897 Specdb::NmrOneD 39898 Specdb::NmrOneD 39899 Specdb::NmrOneD 39900 Specdb::NmrOneD 39901 HMDB40340 IPZ #<Reference:0x000055ce30be5f60> Fishes Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 Milk and milk products Unknown generic Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072 beany earth earthy pea