1.02010-04-08 22:10:56 UTC2018-05-29 01:08:12 UTCFDB0138532-Phenyl-4-pentenalIt is used as a food additive 4-Pentenal, 2-phenyl-a-2-Propenylbenzeneacetaldehyde, 9CIalpha-2-PropenylbenzeneacetaldehydeBenzeneacetaldehyde, alpha-2-propen-1-yl-Benzeneacetaldehyde, alpha-2-propenyl-FEMA 3519C11H12O160.2124160.0888150062-phenylpent-4-enal2-phenylpent-4-enal24401-36-3C=CCC(C=O)C1=CC=CC=C1InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2PBWQZEMADHTUIF-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.PhenylacetaldehydesOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylacetaldehydesAromatic homomonocyclic compoundsAldehydesHydrocarbon derivativesOrganic oxidesAldehydeAromatic homomonocyclic compoundCarbonyl groupHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenylacetaldehydelogp2.58logs-3.59solubility4.09e-02 g/llogp2.58pka_strongest_acidic16.16pka_strongest_basic-7.1iupac2-phenylpent-4-enalaverage_mass160.2124mono_mass160.088815006smilesC=CCC(C=O)C1=CC=CC=C1formulaC11H12OinchiInChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2inchikeyPBWQZEMADHTUIF-UHFFFAOYSA-Npolar_surface_area17.07refractivity50.26polarizability17.82rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs25106Specdb::CMs137340Specdb::CMs145074Specdb::MsIr6849Specdb::MsIr6850Specdb::MsMs92781Specdb::MsMs92782Specdb::MsMs92783Specdb::MsMs156462Specdb::MsMs156463Specdb::MsMs156464Specdb::MsMs2680599Specdb::MsMs2680600Specdb::MsMs2680601Specdb::MsMs3025638Specdb::MsMs3025639Specdb::MsMs3025640floralfruity