1.0 2010-04-08 22:07:59 UTC 2019-11-26 03:02:19 UTC FDB008233 2-Pentenal Found in peas, cooked potato, French fries, wheat bread, cavier, black tea, fish oils, raspberries, strawberries and other foods. Flavouring ingredient FEMA 3218 C5H8O 84.1164 84.057514878 (2Z)-pent-2-enal (2Z)-pent-2-enal 764-39-6 CC\C=C/C=O InChI=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. Enals Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Short-chain aldehydes Aldehyde Aliphatic acyclic compound Enal Hydrocarbon derivative Organic oxide Short-chain aldehyde logp 1.25 ALOGPS logs -0.72 ALOGPS solubility 1.62e+01 g/l ALOGPS logp 1.21 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2Z)-pent-2-enal ChemAxon average_mass 84.1164 ChemAxon mono_mass 84.057514878 ChemAxon smiles CC\C=C/C=O ChemAxon formula C5H8O ChemAxon inchi InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3- ChemAxon inchikey DTCCTIQRPGSLPT-ARJAWSKDSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 26.64 ChemAxon polarizability 9.55 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12319 Specdb::CMs 137920 Specdb::CMs 145654 Specdb::MsIr 4708 Specdb::MsMs 82509 Specdb::MsMs 82510 Specdb::MsMs 82511 Specdb::MsMs 143895 Specdb::MsMs 143896 Specdb::MsMs 143897 Specdb::MsMs 2694849 Specdb::MsMs 2694850 Specdb::MsMs 2694851 Specdb::MsMs 2987741 Specdb::MsMs 2987742 Specdb::MsMs 2987743 Specdb::NmrOneD 164889 Specdb::NmrOneD 164890 Specdb::NmrOneD 164891 Specdb::NmrOneD 164892 Specdb::NmrOneD 164893 Specdb::NmrOneD 164894 Specdb::NmrOneD 164895 Specdb::NmrOneD 164896 Specdb::NmrOneD 164897 Specdb::NmrOneD 164898 Specdb::NmrOneD 164899 Specdb::NmrOneD 164900 Specdb::NmrOneD 164901 Specdb::NmrOneD 164902 Specdb::NmrOneD 164903 Specdb::NmrOneD 164904 Specdb::NmrOneD 164905 Specdb::NmrOneD 164906 Specdb::NmrOneD 164907 Specdb::NmrOneD 164908 HMDB31601 #<Reference:0x000055ce307f38f8> Black tea Type 1 Breakfast cereal Type 2 specific Cabbage Type 1 specific Brassica oleracea var. capitata 3716 Cereals and cereal products Unknown generic Fishes Unknown generic Fruits Unknown generic Green bean Type 1 specific Phaseolus vulgaris 3885 Green tea Type 1 Herbal tea Type 1 Potato Type 1 specific Solanum tuberosum 4113 Pulses Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 apple green orange pungent tomato