1.0 2010-04-08 22:08:14 UTC 2018-05-28 23:19:32 UTC FDB008750 Isopropyl 3-methylbutanoate It is used in pineapple fruit flavouring. 1-Methylethyl 3-methylbutanoate 9-heptacosanone Butanoic acid, 3-methyl-, 1-methylethyl ester FEMA 2961 Iso-propyl iso-valerate Isopropyl 3-methylbutanoate Isopropyl 3-methylbutyrate Isopropyl isopentanoate Isopropyl isovalerate Isopropyl isovalianate Isovaleric acid, isopropyl ester C8H16O2 144.2114 144.115029756 propan-2-yl 3-methylbutanoate isopropyl 3-methylbutanoate 32665-23-9 CC(C)CC(=O)OC(C)C InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3 ZOIRKXLFEHOVER-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 2.56 ALOGPS logs -1.86 ALOGPS solubility 2.00e+00 g/l ALOGPS logp 2.13 ChemAxon pka_strongest_basic -7 ChemAxon iupac propan-2-yl 3-methylbutanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CC(C)CC(=O)OC(C)C ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3 ChemAxon inchikey ZOIRKXLFEHOVER-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.36 ChemAxon polarizability 17.03 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14957 Specdb::CMs 28373 Specdb::CMs 101016 Specdb::CMs 134409 Specdb::CMs 142143 Specdb::MsIr 5049 Specdb::MsIr 5050 Specdb::NmrOneD 111718 Specdb::NmrOneD 111719 Specdb::NmrOneD 111720 Specdb::NmrOneD 111721 Specdb::NmrOneD 111722 Specdb::NmrOneD 111723 Specdb::NmrOneD 111724 Specdb::NmrOneD 111725 Specdb::NmrOneD 111726 Specdb::NmrOneD 111727 Specdb::NmrOneD 111728 Specdb::NmrOneD 111729 Specdb::NmrOneD 111730 Specdb::NmrOneD 111731 Specdb::NmrOneD 111732 Specdb::NmrOneD 111733 Specdb::NmrOneD 111734 Specdb::NmrOneD 111735 Specdb::NmrOneD 111736 Specdb::NmrOneD 111737 Specdb::MsMs 43194 Specdb::MsMs 43195 Specdb::MsMs 43196 Specdb::MsMs 161148 Specdb::MsMs 161149 Specdb::MsMs 161150 Specdb::MsMs 2269183 Specdb::MsMs 2269184 Specdb::MsMs 2269185 Specdb::MsMs 3073236 Specdb::MsMs 3073237 Specdb::MsMs 3073238 HMDB32046 #<Reference:0x000055ce316a0fe0> apple fruity pineapple