1.02010-04-08 22:04:46 UTC2019-11-26 02:55:38 UTCFDB0009255-Ethyl-2-methylpyridinePresent 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-picoline5-Ethyl-a-picoline5-Ethyl-alpha-picolineAldehydecollidineFEMA 3546C8H11N121.1796121.0891493575-ethyl-2-methylpyridine5-ethyl-2-methylpyridine104-90-5CCC1=CN=C(C)C=C1InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3NTSLROIKFLNUIJ-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.MethylpyridinesOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesMethylpyridinesAromatic heteromonocyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compoundsAromatic heteromonocyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeMethylpyridineOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundLiquidlogp2.19logs-0.59solubility3.11e+01 g/lmelting_point-70.9 oClogp1.84pka_strongest_basic6.19iupac5-ethyl-2-methylpyridineaverage_mass121.1796mono_mass121.089149357smilesCCC1=CN=C(C)C=C1formulaC8H11NinchiInChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3inchikeyNTSLROIKFLNUIJ-UHFFFAOYSA-Npolar_surface_area12.89refractivity38.13polarizability14.45rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs15735Specdb::CMs27656Specdb::CMs28939Specdb::CMs100431Specdb::CMs100432Specdb::CMs132109Specdb::CMs139843Specdb::MsIr3647Specdb::MsIr3648Specdb::NmrOneD159210Specdb::NmrOneD159211Specdb::NmrOneD159212Specdb::NmrOneD159213Specdb::NmrOneD159214Specdb::NmrOneD159215Specdb::NmrOneD159216Specdb::NmrOneD159217Specdb::NmrOneD159218Specdb::NmrOneD159219Specdb::NmrOneD159220Specdb::NmrOneD159221Specdb::NmrOneD159222Specdb::NmrOneD159223Specdb::NmrOneD159224Specdb::NmrOneD159225Specdb::NmrOneD159226Specdb::NmrOneD159227Specdb::NmrOneD159228Specdb::NmrOneD159229Specdb::MsMs94818Specdb::MsMs94819Specdb::MsMs94820Specdb::MsMs158937Specdb::MsMs158938Specdb::MsMs158939Specdb::MsMs2826975Specdb::MsMs2826976Specdb::MsMs2826977Specdb::MsMs2851495Specdb::MsMs2851496Specdb::MsMs2851497HMDB29729#<Reference:0x0000555675b594d0>Alcoholic beveragesUnknowngenericBlack teaType 1Cocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641Green teaType 1Herbal teaType 1PeppermintType 1specificMentha X piperita34256PulsesUnknowngenericRed teaType 1TeaType 1specificCamellia sinensis4442earthynuttypotatorawroastedstrong