1.0 2010-04-08 22:13:54 UTC 2019-11-26 03:16:37 UTC FDB018749 Isopropyl 2-methylbutanoate Flavouring ingredient 1-Methylethyl 2-methylbutanoate 2-propyl 2-methylbutanoate Butanoic acid, 2-methyl-, 1-methylethyl ester FEMA 3699 Isopropyl 2-methyIbutyrate Isopropyl 2-methylbutanoate Isopropyl 2-methylbutyrate C8H16O2 144.2114 144.115029756 propan-2-yl 2-methylbutanoate isopropyl 2-methylbutanoate 66576-71-4 CCC(C)C(=O)OC(C)C InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3 DIRDKDDFAMNBNY-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 2.66 ALOGPS logs -1.78 ALOGPS solubility 2.39e+00 g/l ALOGPS logp 2.38 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac propan-2-yl 2-methylbutanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCC(C)C(=O)OC(C)C ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3 ChemAxon inchikey DIRDKDDFAMNBNY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.38 ChemAxon polarizability 16.87 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16341 Specdb::CMs 28628 Specdb::CMs 102016 Specdb::CMs 169052 Specdb::MsIr 8118 Specdb::MsIr 8119 Specdb::MsMs 7451 Specdb::MsMs 7452 Specdb::MsMs 7453 Specdb::MsMs 14123 Specdb::MsMs 14124 Specdb::MsMs 14125 Specdb::MsMs 2715565 Specdb::MsMs 2715566 Specdb::MsMs 2715567 Specdb::MsMs 2966445 Specdb::MsMs 2966446 Specdb::MsMs 2966447 Specdb::NmrOneD 31622 Specdb::NmrOneD 31623 Specdb::NmrOneD 31624 Specdb::NmrOneD 31625 Specdb::NmrOneD 31626 Specdb::NmrOneD 31627 Specdb::NmrOneD 31628 Specdb::NmrOneD 31629 Specdb::NmrOneD 31630 Specdb::NmrOneD 31631 Specdb::NmrOneD 31632 Specdb::NmrOneD 31633 Specdb::NmrOneD 31634 Specdb::NmrOneD 31635 Specdb::NmrOneD 31636 Specdb::NmrOneD 31637 Specdb::NmrOneD 31638 Specdb::NmrOneD 31639 Specdb::NmrOneD 31640 Specdb::NmrOneD 31641 HMDB39217 #<Reference:0x000055ce32d68228> Asian pear Type 1 specific Pyrus pyrifolia 3767 ethereal fruity green oily pineapple sweet tropical