1.0 2010-04-08 22:09:51 UTC 2019-11-26 03:05:32 UTC FDB011835 3-Phenylpropanal Present in cinnamon, tomato, gruyere de comte cheese, beer, cooked trassi, origanum (Spanish) and strawberry. Flavour ingredient. 3-Phenylpropanal is found in many foods, some of which are garden tomato (variety), chinese cinnamon, ceylon cinnamon, and fruits. &beta;-phenylpropionaldehyde 3-Phenyl-1-propanal 3-Phenyl-propionaidehyde 3-Phenylpropan-1-al 3-Phenylpropionaldehyde 3-Phenylpropyl aldehyde 3-Phenylpropylaldehyde Benzenepropanal Benzenepropanal, 9CI Benzylacetaldehyde beta -Phenylpropionaldehyde Beta-phenylpropionaldehyde Dihydrocinnamaldehyde FEMA 2887 Hydrocinnamaldehyde Hydrocinnamic aldehyde Hydrocinnamylaldehyde Phenyl-propanal Phenylpropionaldehyde Propanal, phenyl- Propionaidehyde, 3-phenyl- C9H10O 134.1751 134.073164942 3-phenylpropanal benzenepropanal 104-53-0 O=CCCC1=CC=CC=C1 InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2 YGCZTXZTJXYWCO-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Alpha-hydrogen aldehyde Aromatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 2.14 ALOGPS logs -2.38 ALOGPS solubility 5.63e-01 g/l ALOGPS melting_point 47 oC logp 1.9 ChemAxon pka_strongest_acidic 17.44 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-phenylpropanal ChemAxon average_mass 134.1751 ChemAxon mono_mass 134.073164942 ChemAxon smiles O=CCCC1=CC=CC=C1 ChemAxon formula C9H10O ChemAxon inchi InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2 ChemAxon inchikey YGCZTXZTJXYWCO-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 41.04 ChemAxon polarizability 15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3768 Specdb::NmrOneD 4026 Specdb::EiMs 1575 Specdb::CMs 25257 Specdb::CMs 29243 Specdb::CMs 101373 Specdb::CMs 171576 Specdb::MsIr 6211 Specdb::MsIr 6212 Specdb::MsMs 54822 Specdb::MsMs 54823 Specdb::MsMs 54824 Specdb::MsMs 116901 Specdb::MsMs 116902 Specdb::MsMs 116903 Specdb::MsMs 2747677 Specdb::MsMs 2747678 Specdb::MsMs 2747679 Specdb::MsMs 2931729 Specdb::MsMs 2931730 Specdb::MsMs 2931731 HMDB33716 3PL #<Reference:0x000055ce326fa3c8> #<Reference:0x000055ce326fa210> #<Reference:0x000055ce326f9ea0> #<Reference:0x000055ce326f9c70> #<Reference:0x000055ce326f9ab8> #<Reference:0x000055ce326f9900> #<Reference:0x000055ce326f9720> #<Reference:0x000055ce326f9518> #<Reference:0x000055ce326f92c0> #<Reference:0x000055ce326f90b8> #<Reference:0x000055ce326f8eb0> #<Reference:0x000055ce326f8c80> #<Reference:0x000055ce326f8aa0> #<Reference:0x000055ce326f8898> #<Reference:0x000055ce326f84d8> Alcoholic beverages Unknown generic Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 10.0 10.0 10.0 mg/100 g Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Herbs and Spices Unknown generic Milk and milk products Unknown generic balsam chocolate cinnamon clove cortex foliage fresh green honey hyacinth leaf storax strawberry