1.02010-04-08 22:10:23 UTC2018-05-28 23:39:31 UTCFDB012827Cyclohexyl pentanoateIt is used in blackcurrant fruit flavouring.1-Cyclohexyl pentanoateCyclohexyl n-valerateCyclohexyl pentanoateCyclohexyl valeratePentanoic acid, cyclohexyl esterC11H20O2184.2753184.146329884cyclohexyl pentanoatecyclohexyl pentanoate1551-43-5CCCCC(=O)OC1CCCCC1InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3YLCHTSSXNSNXSW-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 estersAliphatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp3.64logs-3.17solubility1.25e-01 g/llogp3.31pka_strongest_basic-7iupaccyclohexyl pentanoateaverage_mass184.2753mono_mass184.146329884smilesCCCCC(=O)OC1CCCCC1formulaC11H20O2inchiInChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3inchikeyYLCHTSSXNSNXSW-UHFFFAOYSA-Npolar_surface_area26.3refractivity52.26polarizability22.25rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs17059Specdb::CMs28370Specdb::CMs101618Specdb::CMs158837Specdb::MsIr6603Specdb::MsIr6604Specdb::MsMs106782Specdb::MsMs106783Specdb::MsMs106784Specdb::MsMs173613Specdb::MsMs173614Specdb::MsMs173615Specdb::MsMs2307387Specdb::MsMs2307388Specdb::MsMs2307389Specdb::MsMs2654660Specdb::MsMs2654661Specdb::MsMs2654662HMDB34429#<Reference:0x0000555675dd58a8>