1.0 2010-04-08 22:12:22 UTC 2017-04-03 04:52:30 UTC FDB016326 Propyl 2,4-decadienoate Flavouring ingredient with a Bartlett pear flavour 2,4-decadienoic Acid, Propyl Ester FEMA 3648 Propyl 2,4-decadienoate C13H22O2 210.3126 210.161979948 propyl (2E,4E)-deca-2,4-dienoate propyl (2E,4E)-deca-2,4-dienoate 56-40-6 CCCCC\C=C\C=C\C(=O)OCCC InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+ RKDOXCGYGLYOBV-BNFZFUHLSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Enoate esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.97 ALOGPS logs -4.51 ALOGPS solubility 6.44e-03 g/l ALOGPS logp 4.48 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac propyl (2E,4E)-deca-2,4-dienoate ChemAxon average_mass 210.3126 ChemAxon mono_mass 210.161979948 ChemAxon smiles CCCCC\C=C\C=C\C(=O)OCCC ChemAxon formula C13H22O2 ChemAxon inchi InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3/b9-8+,11-10+ ChemAxon inchikey RKDOXCGYGLYOBV-BNFZFUHLSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 65.73 ChemAxon polarizability 25.98 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17183 Specdb::CMs 133845 Specdb::CMs 141579 Specdb::MsIr 7523 Specdb::MsIr 7524 Specdb::MsMs 71391 Specdb::MsMs 71392 Specdb::MsMs 71393 Specdb::MsMs 130041 Specdb::MsMs 130042 Specdb::MsMs 130043 Specdb::MsMs 2271720 Specdb::MsMs 2271721 Specdb::MsMs 2271722 Specdb::MsMs 3067412 Specdb::MsMs 3067413 Specdb::MsMs 3067414 HMDB37307 #<Reference:0x000055ce3058f968> fatty green melon pear