1.0 2010-04-08 22:12:16 UTC 2019-11-26 03:12:50 UTC FDB016156 2-Isopropyl-5-methyl-2-hexenal 2-Isopropyl-5-methyl-2-hexenal is a flavouring ingredient. It is found in cocoa and preserved feijowa sellowiana fruits. It is a minor aroma constituent of malted barley. It is also found in cereals and cereal products. (2E)-2-Isopropyl-5-methyl-2-hexenal 2-Hexen-1-al, 2-isopropyl-5-methyl- 2-Hexen-1-al, 5-methyl-2-(1-methylethyl)- 2-Hexenal, 2-isopropyl-5-methyl- 2-Hexenal, 5-methyl-2-(1-methylethyl)- 2-Isopropyl-3-isobutylacrolein 2-Isopropyl-5-methyl-2-hexen-1-al 2-Isopropyl-5-methylhex-2-enal 2,6-Dimethyl-3-formyl-3-heptene 5-Methyl-2-(1-methylethyl)-2-hexen-1-al 5-Methyl-2-(1-methylethyl)-2-hexenal 5-Methyl-2-(1-methylethyl)-2-hexenal, 9CI Alpha-isopropyl-beta-isobutylacrolein cis-5-Methyl-2-isopropyl-2-hexen-1-al FEMA 3406 Isodihydroavandulyl aldehyde Isodihydrolavandulyl aldehyde Isodihydrovandulyl aldehyde trans-5-Methyl-2-isopropyl-2-hexen-1-al C10H18O 154.2493 154.135765198 (2Z)-5-methyl-2-(propan-2-yl)hex-2-enal (2Z)-2-isopropyl-5-methylhex-2-enal 35158-25-9 CC(C)C\C=C(/C=O)C(C)C InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+ IOLQAHFPDADCHJ-UXBLZVDNSA-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 3.39 ALOGPS logs -2.58 ALOGPS solubility 4.03e-01 g/l ALOGPS logp 3.06 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac (2Z)-5-methyl-2-(propan-2-yl)hex-2-enal ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles CC(C)C\C=C(/C=O)C(C)C ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+ ChemAxon inchikey IOLQAHFPDADCHJ-UXBLZVDNSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 49.3 ChemAxon polarizability 18.89 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7425 Specdb::MsIr 7426 Specdb::CMs 16504 Specdb::CMs 134195 Specdb::CMs 141929 Specdb::MsMs 302479 Specdb::MsMs 302480 Specdb::MsMs 302481 Specdb::MsMs 345223 Specdb::MsMs 345224 Specdb::MsMs 345225 Specdb::MsMs 2302632 Specdb::MsMs 2302633 Specdb::MsMs 2302634 Specdb::MsMs 3066455 Specdb::MsMs 3066456 Specdb::MsMs 3066457 HMDB37161 #<Reference:0x000055ce30440918> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Fruits Unknown generic blueberry green herbal lavender tomato woody