1.0 2010-04-08 22:09:44 UTC 2015-07-20 22:41:52 UTC FDB011620 2-Methyl-2-octenal Flavouring ingredient (2E)-2-methyl-2-octenal (E)-2-Methyloct-2-enal 2-Methyl-(2e)-2-octenal 2-Methyl-(e)-2-octenal 2-Octenal, 2-methyl- 2-Octenal, 2-methyl-, (2E)- 2-Octenal, 2-methyl-, (E)- FEMA 1814 C9H16O 140.2227 140.120115134 (2Z)-2-methyloct-2-enal (2Z)-2-methyloct-2-enal 73757-27-4 CCCCC\C=C(\C)C=O InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h7-8H,3-6H2,1-2H3/b9-7- IHZRGRBFNMNNFV-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 3.00 ALOGPS logs -2.51 ALOGPS solubility 4.35e-01 g/l ALOGPS logp 2.93 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2Z)-2-methyloct-2-enal ChemAxon average_mass 140.2227 ChemAxon mono_mass 140.120115134 ChemAxon smiles CCCCC\C=C(\C)C=O ChemAxon formula C9H16O ChemAxon inchi InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h7-8H,3-6H2,1-2H3/b9-7- ChemAxon inchikey IHZRGRBFNMNNFV-CLFYSBASSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.8 ChemAxon polarizability 17.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6147 Specdb::MsIr 6148 Specdb::CMs 15554 Specdb::CMs 134947 Specdb::CMs 142681 Specdb::MsMs 300439 Specdb::MsMs 300440 Specdb::MsMs 300441 Specdb::MsMs 342712 Specdb::MsMs 342713 Specdb::MsMs 342714 Specdb::MsMs 3042010 Specdb::MsMs 3042011 Specdb::MsMs 3042012 Specdb::MsMs 3098224 Specdb::MsMs 3098225 Specdb::MsMs 3098226 HMDB33554 #<Reference:0x000055ce3201e4f0> fruity green