1.0 2010-04-08 22:12:16 UTC 2019-11-26 03:12:48 UTC FDB016145 2-Ethyl-2-heptenal 2-Ethyl-2-heptenal is a flavouring ingredient. It is found in walnut peel and ambarella fruits (Spondias cytherea). 2-Ethyl-3-butylacrolein 2-Heptenal, 2-ethyl- Alpha-ethyl-beta-butylacrolein FEMA 2438 C9H16O 140.2227 140.120115134 (2Z)-2-ethylhept-2-enal (2Z)-2-ethylhept-2-enal 10031-88-6 CCCC\C=C(\CC)C=O InChI=1S/C9H16O/c1-3-5-6-7-9(4-2)8-10/h7-8H,3-6H2,1-2H3/b9-7- RKQKOUYEJBHOFR-CLFYSBASSA-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 3.08 ALOGPS logs -2.33 ALOGPS solubility 6.50e-01 g/l ALOGPS logp 2.93 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2Z)-2-ethylhept-2-enal ChemAxon average_mass 140.2227 ChemAxon mono_mass 140.120115134 ChemAxon smiles CCCC\C=C(\CC)C=O ChemAxon formula C9H16O ChemAxon inchi InChI=1S/C9H16O/c1-3-5-6-7-9(4-2)8-10/h7-8H,3-6H2,1-2H3/b9-7- ChemAxon inchikey RKQKOUYEJBHOFR-CLFYSBASSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.8 ChemAxon polarizability 17.54 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7413 Specdb::MsIr 7414 Specdb::CMs 22428 Specdb::CMs 135145 Specdb::CMs 142879 Specdb::MsMs 315844 Specdb::MsMs 315845 Specdb::MsMs 315846 Specdb::MsMs 361936 Specdb::MsMs 361937 Specdb::MsMs 361938 Specdb::MsMs 2787304 Specdb::MsMs 2787305 Specdb::MsMs 2787306 Specdb::MsMs 2919086 Specdb::MsMs 2919087 Specdb::MsMs 2919088 HMDB37150 #<Reference:0x000055ce32ac40f8> Fruits Unknown generic Nuts Unknown generic green sharp