1.02010-04-08 22:08:56 UTC2018-05-28 23:26:42 UTCFDB010066Phenethyl decanoateIt is used as a food additive .2-Phenylethyl decanoateDecanoic acid, 2-phenylethyl esterPhenylethyl n-decanoateC18H28O2276.4137276.208930142-phenylethyl decanoate2-phenylethyl decanoate61810-55-7CCCCCCCCCC(=O)OCCC1=CC=CC=C1InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3DDMQLUJPAGWJOB-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.Fatty acid estersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acid estersAromatic homomonocyclic compoundsBenzene and substituted derivativesCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAromatic homomonocyclic compoundBenzenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp6.29logs-6.16solubility1.89e-04 g/llogp5.75pka_strongest_basic-7iupac2-phenylethyl decanoateaverage_mass276.4137mono_mass276.20893014smilesCCCCCCCCCC(=O)OCCC1=CC=CC=C1formulaC18H28O2inchiInChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3inchikeyDDMQLUJPAGWJOB-UHFFFAOYSA-Npolar_surface_area26.3refractivity83.61polarizability34.63rotatable_bond_count12acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs23285Specdb::CMs147180Specdb::MsMs102393Specdb::MsMs102394Specdb::MsMs102395Specdb::MsMs168204Specdb::MsMs168205Specdb::MsMs168206Specdb::MsMs2452039Specdb::MsMs2452040Specdb::MsMs2452041Specdb::MsMs2483260Specdb::MsMs2483261Specdb::MsMs2483262HMDB32464#<Reference:0x0000555675e82b48>