1.0 2010-04-08 22:08:58 UTC 2018-05-28 23:27:01 UTC FDB010135 Prenyl caproate It is used as a food additive . 3-Methyl-2-butenyl hexanoate 3-Methylbut-2-enyl hexanoate Hexanoic acid, 3-methyl-2-buten-1-yl ester Hexanoic acid, 3-methyl-2-butenyl ester Hexanoic acid, 3-methylbut-2-enyl ester Hydrocortisone caproate Prenyl hexanoate C11H20O2 184.2753 184.146329884 3-methylbut-2-en-1-yl hexanoate 3-methylbut-2-en-1-yl hexanoate 76649-22-4 CCCCCC(=O)OCC=C(C)C InChI=1S/C11H20O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h8H,4-7,9H2,1-3H3 MUVXQQVJNUBWPF-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 esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.96 ALOGPS logs -2.76 ALOGPS solubility 3.24e-01 g/l ALOGPS logp 3.32 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-methylbut-2-en-1-yl hexanoate ChemAxon average_mass 184.2753 ChemAxon mono_mass 184.146329884 ChemAxon smiles CCCCCC(=O)OCC=C(C)C ChemAxon formula C11H20O2 ChemAxon inchi InChI=1S/C11H20O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h8H,4-7,9H2,1-3H3 ChemAxon inchikey MUVXQQVJNUBWPF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.96 ChemAxon polarizability 22.73 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5474 Specdb::MsIr 5475 Specdb::CMs 12283 Specdb::CMs 149212 Specdb::MsMs 52107 Specdb::MsMs 52108 Specdb::MsMs 52109 Specdb::MsMs 161022 Specdb::MsMs 161023 Specdb::MsMs 161024 Specdb::MsMs 2816539 Specdb::MsMs 2816540 Specdb::MsMs 2816541 Specdb::MsMs 2893013 Specdb::MsMs 2893014 Specdb::MsMs 2893015 HMDB32489 31676 #<Reference:0x000055ac3b9d9f58> cheesy fruity green