1.0 2010-04-08 22:14:20 UTC 2015-07-21 06:35:40 UTC FDB019418 (Z)-5-Octenal Flavouring ingredient (5Z)-5-Octenal 5-Octenal, (5Z)- 5-Octenal, (Z)- 5-Octenal, cis- cis-5-Octenal FEMA 3749 C8H14O 126.1962 126.10446507 (5E)-oct-5-enal (5E)-oct-5-enal 41547-22-2 CC\C=C\CCCC=O InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,8H,2,5-7H2,1H3/b4-3+ ZUSUVEKHEZURSD-ONEGZZNKSA-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 Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Medium-chain aldehyde Organic oxide Fatty aldehydes logp 2.63 ALOGPS logs -2.50 ALOGPS solubility 3.95e-01 g/l ALOGPS logp 2.18 ChemAxon pka_strongest_acidic 15.29 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac (5E)-oct-5-enal ChemAxon average_mass 126.1962 ChemAxon mono_mass 126.10446507 ChemAxon smiles CC\C=C\CCCC=O ChemAxon formula C8H14O ChemAxon inchi InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,8H,2,5-7H2,1H3/b4-3+ ChemAxon inchikey ZUSUVEKHEZURSD-ONEGZZNKSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.47 ChemAxon polarizability 15.58 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17247 Specdb::CMs 163388 Specdb::MsMs 304138 Specdb::MsMs 304139 Specdb::MsMs 304140 Specdb::MsMs 347254 Specdb::MsMs 347255 Specdb::MsMs 347256 Specdb::MsMs 2425669 Specdb::MsMs 2425670 Specdb::MsMs 2425671 Specdb::MsMs 2509219 Specdb::MsMs 2509220 Specdb::MsMs 2509221 Specdb::MsIr 8292 Specdb::MsIr 8293 HMDB39770 #<Reference:0x000055ce2f352f20> fruity