1.02010-04-08 22:12:21 UTC2019-11-26 03:13:00 UTCFDB0163004-Methyl-2-phenyl-2-pentenalPresent in aroma volatiles of roast filbert, tea, peppermint and krill seasoning. Ingredient of cocoa and chocolate-type flavours. 4-Methyl-2-phenyl-2-pentenal is found in many foods, some of which are herbs and spices, tea, crustaceans, and potato.(2Z)-4-Methyl-2-phenyl-2-pentenal2-Pentenal, 4-methyl-2-phenyl-4-Methyl-2-phenyl-2-penterala-(2-Methylpropylidene)benzeneacetaldehyde, 9CIalpha-(2-Methylpropylidene)-benzeneacetaldehydealpha-(2-Methylpropylidene)benzeneacetaldehydeAlpha-isobutylidenebenzeneacetaldehydeBenzeneacetaldehyde, alpha-(2-methylpropylidene)-FEMA 3200C12H14O174.239174.10446507(2Z)-4-methyl-2-phenylpent-2-enal(2Z)-4-methyl-2-phenylpent-2-enal26643-91-4CC(C)\C=C(/C=O)C1=CC=CC=C1InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+ULRYRAHIBWLZKC-XYOKQWHBSA-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 compoundsAldehydesEnalsHydrocarbon derivativesOrganic oxidesStyrenesAldehydeAlpha,beta-unsaturated aldehydeAromatic homomonocyclic compoundCarbonyl groupEnalHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenylacetaldehydeStyrenelogp3.15logs-3.34solubility7.93e-02 g/llogp3.16pka_strongest_basic-4.5iupac(2Z)-4-methyl-2-phenylpent-2-enalaverage_mass174.239mono_mass174.10446507smilesCC(C)\C=C(/C=O)C1=CC=CC=C1formulaC12H14OinchiInChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+inchikeyULRYRAHIBWLZKC-XYOKQWHBSA-Npolar_surface_area17.07refractivity55.64polarizability20.25rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs20995Specdb::CMs155716Specdb::MsIr7492Specdb::MsIr7493Specdb::MsMs102282Specdb::MsMs102283Specdb::MsMs102284Specdb::MsMs168075Specdb::MsMs168076Specdb::MsMs168077Specdb::MsMs2375435Specdb::MsMs2375436Specdb::MsMs2375437Specdb::MsMs2559429Specdb::MsMs2559430Specdb::MsMs2559431HMDB37281#<Reference:0x0000555675a2bcc0>Black teaType 1CrustaceansUnknowngeneric6657Green teaType 1Green vegetablesUnknowngenericHerbal teaType 1Herbs and SpicesUnknowngenericNutsUnknowngenericPotatoType 1specificSolanum tuberosum4113Red teaType 1TeaType 1specificCamellia sinensis4442cocoanuttypowderyrosesweet