1.02010-04-08 22:08:19 UTC2018-05-28 23:20:30 UTCFDB008916Allyl valerateIt is used as a food additive .Allyl pentanoatePentanoic acid, 2-propenyl esterC8H14O2142.1956142.099379692prop-2-en-1-yl pentanoateprop-2-en-1-yl pentanoate6321-45-5CCCCC(=O)OCC=CInChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3PWYXVVREDGESBB-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 compoundlogp2.50logs-1.73solubility2.63e+00 g/llogp2.24pka_strongest_basic-7iupacprop-2-en-1-yl pentanoateaverage_mass142.1956mono_mass142.099379692smilesCCCCC(=O)OCC=CformulaC8H14O2inchiInChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3inchikeyPWYXVVREDGESBB-UHFFFAOYSA-Npolar_surface_area26.3refractivity40.4polarizability16.57rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr5146Specdb::MsIr5147Specdb::CMs10874Specdb::CMs28686Specdb::CMs101095Specdb::CMs148653Specdb::MsMs88074Specdb::MsMs88075Specdb::MsMs88076Specdb::MsMs150729Specdb::MsMs150730Specdb::MsMs150731Specdb::MsMs2763928Specdb::MsMs2763929Specdb::MsMs2763930Specdb::MsMs2941091Specdb::MsMs2941092Specdb::MsMs2941093Specdb::NmrOneD112158Specdb::NmrOneD112159Specdb::NmrOneD112160Specdb::NmrOneD112161Specdb::NmrOneD112162Specdb::NmrOneD112163Specdb::NmrOneD112164Specdb::NmrOneD112165Specdb::NmrOneD112166Specdb::NmrOneD112167Specdb::NmrOneD112168Specdb::NmrOneD112169Specdb::NmrOneD112170Specdb::NmrOneD112171Specdb::NmrOneD112172Specdb::NmrOneD112173Specdb::NmrOneD112174Specdb::NmrOneD112175Specdb::NmrOneD112176Specdb::NmrOneD112177HMDB32164#<Reference:0x0000555675e58230>pineapple