1.0 2011-03-30 21:42:19 UTC 2018-05-29 01:52:28 UTC FDB021773 2-Butyl-2-octenal The E-form is a Pheromone isolated from the glands of Amblypelta nitida and Oecophylla longinodaand is) also found in essential oils of Acorus calamus (sweet flag) and Lactuca sativa [CCD] 2-Butyl-2-octenal, 9CI 2-Hexylidenehexanol FEMA 4616 C12H22O 182.3025 182.167065326 (2Z)-2-butyloct-2-enal (2Z)-2-butyloct-2-enal 64935-38-2 CCCCC\C=C(\CCCC)C=O InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10- LYGMPIZYNJGJKP-BENRWUELSA-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 4.65 ALOGPS logs -4.07 ALOGPS solubility 1.54e-02 g/l ALOGPS logp 4.27 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2Z)-2-butyloct-2-enal ChemAxon average_mass 182.3025 ChemAxon mono_mass 182.167065326 ChemAxon smiles CCCCC\C=C(\CCCC)C=O ChemAxon formula C12H22O ChemAxon inchi InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10- ChemAxon inchikey LYGMPIZYNJGJKP-BENRWUELSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 58.6 ChemAxon polarizability 23.65 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24635 Specdb::CMs 149187 Specdb::MsIr 8071 Specdb::MsIr 8072 Specdb::MsMs 68397 Specdb::MsMs 68398 Specdb::MsMs 68399 Specdb::MsMs 126417 Specdb::MsMs 126418 Specdb::MsMs 126419 Specdb::MsMs 2376782 Specdb::MsMs 2376783 Specdb::MsMs 2376784 Specdb::MsMs 2562756 Specdb::MsMs 2562757 Specdb::MsMs 2562758 HMDB38972 #<Reference:0x000055ce32dee968>