1.02010-04-08 22:13:54 UTC2019-11-26 03:16:38 UTCFDB0187511-Methylbutyl butanoate1-Methylbutyl butanoate is a flavouring agent. It is found in bananas, passion fruit and strawberry.1-Methylbutyl butanoate1-Methylbutyl butyrate2-pentyl butanoate2-Pentyl butyrateButanoic Acid, 1-methylbutyl EsterButanoic acid, 2-pentyl esterButyric acid, sec-pentyl esterFEMA 3893Sec-amyl butyrateC9H18O2158.238158.13067982pentan-2-yl butanoatepentan-2-yl butanoate60415-61-4CCCC(C)OC(=O)CCCInChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3DJOCFLQKCMWABC-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 acyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp3.41logs-2.43solubility5.89e-01 g/llogp2.81pka_strongest_basic-7iupacpentan-2-yl butanoateaverage_mass158.238mono_mass158.13067982smilesCCCC(C)OC(=O)CCCformulaC9H18O2inchiInChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3inchikeyDJOCFLQKCMWABC-UHFFFAOYSA-Npolar_surface_area26.3refractivity44.93polarizability19.06rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs26511Specdb::CMs29160Specdb::CMs102018Specdb::CMs174506Specdb::MsIr8120Specdb::MsIr8121Specdb::MsMs84462Specdb::MsMs84463Specdb::MsMs84464Specdb::MsMs146331Specdb::MsMs146332Specdb::MsMs146333Specdb::MsMs2344211Specdb::MsMs2344212Specdb::MsMs2344213Specdb::MsMs2590624Specdb::MsMs2590625Specdb::MsMs2590626HMDB39219#<Reference:0x00005556759bbce0>FruitsUnknowngenericapricotbananacashewfruityherbalsweet