1.0 2010-04-08 22:11:07 UTC 2019-11-26 03:09:36 UTC FDB014162 Tridecyl phloretate Constituent of Piper longum (long pepper). Tridecyl phloretate is found in herbs and spices. 3-(4-Hydroxyphenyl)propanoic acid tridecyl ester Phloretic acid tridecyl ester Tridecyl 3-(4-hydroxyphenyl)propanate Tridecyl phloretate C22H36O3 348.5194 348.266445018 tridecyl 3-(4-hydroxyphenyl)propanoate tridecyl 3-(4-hydroxyphenyl)propanoate 232262-50-9 CCCCCCCCCCCCCOC(=O)CCC1=CC=C(O)C=C1 InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-22(24)18-15-20-13-16-21(23)17-14-20/h13-14,16-17,23H,2-12,15,18-19H2,1H3 LMHWNJAOHBYRNG-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol logp 7.62 ALOGPS logs -6.21 ALOGPS solubility 2.15e-04 g/l ALOGPS logp 7.22 ChemAxon pka_strongest_acidic 9.51 ChemAxon pka_strongest_basic -6 ChemAxon iupac tridecyl 3-(4-hydroxyphenyl)propanoate ChemAxon average_mass 348.5194 ChemAxon mono_mass 348.266445018 ChemAxon smiles CCCCCCCCCCCCCOC(=O)CCC1=CC=C(O)C=C1 ChemAxon formula C22H36O3 ChemAxon inchi InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-22(24)18-15-20-13-16-21(23)17-14-20/h13-14,16-17,23H,2-12,15,18-19H2,1H3 ChemAxon inchikey LMHWNJAOHBYRNG-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 104 ChemAxon polarizability 44.63 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48876 Specdb::MsMs 48877 Specdb::MsMs 48878 Specdb::MsMs 136464 Specdb::MsMs 136465 Specdb::MsMs 136466 Specdb::MsMs 2412064 Specdb::MsMs 2412065 Specdb::MsMs 2412066 Specdb::MsMs 2550968 Specdb::MsMs 2550969 Specdb::MsMs 2550970 Specdb::CMs 26450 Specdb::CMs 44405 Specdb::CMs 132786 Specdb::CMs 140520 HMDB35477 #<Reference:0x000055ce32518870> Herbs and Spices Unknown generic