1.02010-04-08 22:07:59 UTC2019-11-26 03:02:19 UTCFDB008234(E)-2-Pentenal2-pentenal is a member of the class of compounds known as enals. Enals are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. 2-pentenal is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-pentenal is an apple, green, and orange tasting compound and can be found in a number of food items such as potato, cereals and cereal products, fishes, and pulses, which makes 2-pentenal a potential biomarker for the consumption of these food products. (2E)-2-Pentenal(E)-pent-2-enal2-pentenaltrans-2-Penten-1-altrans-pent-2-enalC5H8O84.116484.057514878(2Z)-pent-2-enal(2Z)-pent-2-enal1576-87-0CC\C=C/C=OInChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3-DTCCTIQRPGSLPT-ARJAWSKDSA-N belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.EnalsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsHydrocarbon derivativesOrganic oxidesShort-chain aldehydesAldehydeAliphatic acyclic compoundEnalHydrocarbon derivativeOrganic oxideShort-chain aldehydelogp1.25logs-0.72solubility1.62e+01 g/llogp1.21pka_strongest_basic-4.2iupac(2Z)-pent-2-enalaverage_mass84.1164mono_mass84.057514878smilesCC\C=C/C=OformulaC5H8OinchiInChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3-inchikeyDTCCTIQRPGSLPT-ARJAWSKDSA-Npolar_surface_area17.07refractivity26.64polarizability9.55rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4708Specdb::CMs12319Specdb::CMs137920Specdb::CMs145654Specdb::NmrOneD164889Specdb::NmrOneD164890Specdb::NmrOneD164891Specdb::NmrOneD164892Specdb::NmrOneD164893Specdb::NmrOneD164894Specdb::NmrOneD164895Specdb::NmrOneD164896Specdb::NmrOneD164897Specdb::NmrOneD164898Specdb::NmrOneD164899Specdb::NmrOneD164900Specdb::NmrOneD164901Specdb::NmrOneD164902Specdb::NmrOneD164903Specdb::NmrOneD164904Specdb::NmrOneD164905Specdb::NmrOneD164906Specdb::NmrOneD164907Specdb::NmrOneD164908Specdb::MsMs82509Specdb::MsMs82510Specdb::MsMs82511Specdb::MsMs143895Specdb::MsMs143896Specdb::MsMs143897Specdb::MsMs2694849Specdb::MsMs2694850Specdb::MsMs2694851Specdb::MsMs2987741Specdb::MsMs2987742Specdb::MsMs2987743Cherry tomatoType 1specificSolanum lycopersicum var. cerasiforme195583CornType 1specificZea mays4577Garden tomatoType 1specificSolanum lycopersicum4081Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755SafflowerType 1specificCarthamus tinctorius4222TortillaType 2specificapplefruitfruitygreenorangepungentstrawberrytomato