1.0 2010-04-08 22:04:46 UTC 2019-11-26 02:55:38 UTC FDB000925 5-Ethyl-2-methylpyridine Present in dry red beans, cocoa, tea and whisky. Flavouring agent. 5-Ethyl-2-methylpyridine is found in many foods, some of which are tea, pulses, cocoa and cocoa products, and peppermint. 5-Ethyl-α-picoline 5-Ethyl-a-picoline 5-Ethyl-alpha-picoline Aldehydecollidine FEMA 3546 C8H11N 121.1796 121.089149357 5-ethyl-2-methylpyridine 5-ethyl-2-methylpyridine 104-90-5 CCC1=CN=C(C)C=C1 InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3 NTSLROIKFLNUIJ-UHFFFAOYSA-N belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. Methylpyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Methylpyridines Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Methylpyridine Organic nitrogen compound Organonitrogen compound Organopnictogen compound Liquid logp 2.19 ALOGPS logs -0.59 ALOGPS solubility 3.11e+01 g/l ALOGPS melting_point -70.9 oC logp 1.84 ChemAxon pka_strongest_basic 6.19 ChemAxon iupac 5-ethyl-2-methylpyridine ChemAxon average_mass 121.1796 ChemAxon mono_mass 121.089149357 ChemAxon smiles CCC1=CN=C(C)C=C1 ChemAxon formula C8H11N ChemAxon inchi InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3 ChemAxon inchikey NTSLROIKFLNUIJ-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 38.13 ChemAxon polarizability 14.45 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3647 Specdb::MsIr 3648 Specdb::CMs 15735 Specdb::CMs 27656 Specdb::CMs 28939 Specdb::CMs 100431 Specdb::CMs 100432 Specdb::CMs 132109 Specdb::CMs 139843 Specdb::NmrOneD 159210 Specdb::NmrOneD 159211 Specdb::NmrOneD 159212 Specdb::NmrOneD 159213 Specdb::NmrOneD 159214 Specdb::NmrOneD 159215 Specdb::NmrOneD 159216 Specdb::NmrOneD 159217 Specdb::NmrOneD 159218 Specdb::NmrOneD 159219 Specdb::NmrOneD 159220 Specdb::NmrOneD 159221 Specdb::NmrOneD 159222 Specdb::NmrOneD 159223 Specdb::NmrOneD 159224 Specdb::NmrOneD 159225 Specdb::NmrOneD 159226 Specdb::NmrOneD 159227 Specdb::NmrOneD 159228 Specdb::NmrOneD 159229 Specdb::MsMs 94818 Specdb::MsMs 94819 Specdb::MsMs 94820 Specdb::MsMs 158937 Specdb::MsMs 158938 Specdb::MsMs 158939 Specdb::MsMs 2826975 Specdb::MsMs 2826976 Specdb::MsMs 2826977 Specdb::MsMs 2851495 Specdb::MsMs 2851496 Specdb::MsMs 2851497 HMDB29729 #<Reference:0x000055ce32aaa2e8> Alcoholic beverages Unknown generic Black tea Type 1 Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Green tea Type 1 Herbal tea Type 1 Peppermint Type 1 specific Mentha X piperita 34256 Pulses Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 earthy nutty potato raw roasted strong