1.02010-04-08 22:09:56 UTC2019-11-26 03:05:54 UTCFDB0119932-HeptenalIsolated from soya bean oil (Glycine max). Flavouring constituent of many foods. 2-Heptenal is found in pulses.2-Hept-enal3-Butylacroleinalpha-Heptenalbeta-ButylacroleinButylacroleinFEMA 3165C7H12O112.1696112.088815006(2E)-hept-2-enal2-heptenal, (2E)-2463-63-0CCCC\C=C\C=OInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+NDFKTBCGKNOHPJ-AATRIKPKSA-N belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.Medium-chain aldehydesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsEnalsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundAlpha,beta-unsaturated aldehydeEnalHydrocarbon derivativeMedium-chain aldehydeOrganic oxideFatty aldehydeslogp2.30logs-1.99solubility1.14e+00 g/llogp2.09pka_strongest_basic-4.2iupac(2E)-hept-2-enalaverage_mass112.1696mono_mass112.088815006smilesCCCC\C=C\C=OformulaC7H12OinchiInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+inchikeyNDFKTBCGKNOHPJ-AATRIKPKSA-Npolar_surface_area17.07refractivity35.84polarizability13.59rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1694Specdb::CMs3331Specdb::CMs29218Specdb::CMs101410Specdb::CMs155411Specdb::MsIr6283Specdb::MsIr6284Specdb::NmrOneD3854Specdb::NmrOneD123118Specdb::NmrOneD123119Specdb::NmrOneD123120Specdb::NmrOneD123121Specdb::NmrOneD123122Specdb::NmrOneD123123Specdb::NmrOneD123124Specdb::NmrOneD123125Specdb::NmrOneD123126Specdb::NmrOneD123127Specdb::NmrOneD123128Specdb::NmrOneD123129Specdb::NmrOneD123130Specdb::NmrOneD123131Specdb::NmrOneD123132Specdb::NmrOneD123133Specdb::NmrOneD123134Specdb::NmrOneD123135Specdb::NmrOneD123136Specdb::NmrOneD123137Specdb::MsMs72609Specdb::MsMs72610Specdb::MsMs72611Specdb::MsMs131580Specdb::MsMs131581Specdb::MsMs131582Specdb::MsMs2733090Specdb::MsMs2733091Specdb::MsMs2733092Specdb::MsMs2972385Specdb::MsMs2972386Specdb::MsMs2972387HMDB33827#<Reference:0x00005556760c5270>AsparagusType 1specificAsparagus officinalis4686CauliflowerType 1specificBrassica oleracea var. botrytis3715Green beanType 1specificPhaseolus vulgaris3885PulsesUnknowngenericTortilla chipType 2specificfattygreen