1.0 2010-04-08 22:05:42 UTC 2015-07-20 21:52:06 UTC FDB003217 4-Methyl-2-pentenal Flavouring ingredient 2-Pentenal, 4-methyl- 4-Methyl-2-pentene-1-al 4-Methylpent-2-enal FEMA 3510 C6H10O 98.143 98.073164942 (2Z)-4-methylpent-2-enal (2Z)-4-methylpent-2-enal 5362-56-1 CC(C)\C=C/C=O InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3- RIWPMNBTULNXOH-ARJAWSKDSA-N belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. Enals Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic acyclic compound Enal Hydrocarbon derivative Organic oxide Liquid logp 1.45 ALOGPS logs -1.43 ALOGPS solubility 3.65e+00 g/l ALOGPS logp 1.49 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2Z)-4-methylpent-2-enal ChemAxon average_mass 98.143 ChemAxon mono_mass 98.073164942 ChemAxon smiles CC(C)\C=C/C=O ChemAxon formula C6H10O ChemAxon inchi InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3- ChemAxon inchikey RIWPMNBTULNXOH-ARJAWSKDSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 31.19 ChemAxon polarizability 11.36 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4165 Specdb::MsIr 4166 Specdb::MsMs 313861 Specdb::MsMs 313862 Specdb::MsMs 313863 Specdb::MsMs 359452 Specdb::MsMs 359453 Specdb::MsMs 359454 Specdb::MsMs 3055613 Specdb::MsMs 3055614 Specdb::MsMs 3055615 Specdb::MsMs 3111710 Specdb::MsMs 3111711 Specdb::MsMs 3111712 Specdb::CMs 21526 Specdb::CMs 148357 Specdb::NmrOneD 162869 Specdb::NmrOneD 162870 Specdb::NmrOneD 162871 Specdb::NmrOneD 162872 Specdb::NmrOneD 162873 Specdb::NmrOneD 162874 Specdb::NmrOneD 162875 Specdb::NmrOneD 162876 Specdb::NmrOneD 162877 Specdb::NmrOneD 162878 Specdb::NmrOneD 162879 Specdb::NmrOneD 162880 Specdb::NmrOneD 162881 Specdb::NmrOneD 162882 Specdb::NmrOneD 162883 Specdb::NmrOneD 162884 Specdb::NmrOneD 162885 Specdb::NmrOneD 162886 Specdb::NmrOneD 162887 Specdb::NmrOneD 162888 HMDB31196 #<Reference:0x000055ce325a58d8> aldehydic apple cognac green woody