1.0 2010-04-08 22:10:37 UTC 2019-11-26 03:08:13 UTC FDB013267 (E,E)-2,4-Hexadienal (E,E)-2,4-Hexadienal is a flavouring ingredient. It is found in olives, roasted peanuts, tomato, caviar, fish, and tea. FEMA 3429 C6H8O 96.1271 96.057514878 (2Z,4E)-hexa-2,4-dienal (2Z,4E)-hexa-2,4-dienal 56-40-6 C\C=C\C=C/C=O InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4- BATOPAZDIZEVQF-IAROGAJJSA-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 aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Enals Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Enal Hydrocarbon derivative Medium-chain aldehyde Organic oxide logp 1.53 ALOGPS logs -1.28 ALOGPS solubility 5.02e+00 g/l ALOGPS logp 1.29 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2Z,4E)-hexa-2,4-dienal ChemAxon average_mass 96.1271 ChemAxon mono_mass 96.057514878 ChemAxon smiles C\C=C\C=C/C=O ChemAxon formula C6H8O ChemAxon inchi InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4- ChemAxon inchikey BATOPAZDIZEVQF-IAROGAJJSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 32.36 ChemAxon polarizability 10.88 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6665 Specdb::MsIr 6666 Specdb::CMs 20231 Specdb::CMs 167300 Specdb::NmrOneD 127398 Specdb::NmrOneD 127399 Specdb::NmrOneD 127400 Specdb::NmrOneD 127401 Specdb::NmrOneD 127402 Specdb::NmrOneD 127403 Specdb::NmrOneD 127404 Specdb::NmrOneD 127405 Specdb::NmrOneD 127406 Specdb::NmrOneD 127407 Specdb::NmrOneD 127408 Specdb::NmrOneD 127409 Specdb::NmrOneD 127410 Specdb::NmrOneD 127411 Specdb::NmrOneD 127412 Specdb::NmrOneD 127413 Specdb::NmrOneD 127414 Specdb::NmrOneD 127415 Specdb::NmrOneD 127416 Specdb::NmrOneD 127417 Specdb::MsMs 78255 Specdb::MsMs 78256 Specdb::MsMs 78257 Specdb::MsMs 138564 Specdb::MsMs 138565 Specdb::MsMs 138566 Specdb::MsMs 2823982 Specdb::MsMs 2823983 Specdb::MsMs 2823984 Specdb::MsMs 2854726 Specdb::MsMs 2854727 Specdb::MsMs 2854728 HMDB34729 #<Reference:0x000055ce305338e8> Black tea Type 1 Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Fishes Unknown generic Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Green tea Type 1 Herbal tea Type 1 Milk (Cow) Type 2 specific 0.274536 0.77 0.000429 mg/100 g Nuts Unknown generic Red tea Type 1 Sweet cherry Type 1 specific Prunus avium 42229 Tea Type 1 specific Camellia sinensis 4442