1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:49 UTC FDB015092 3-Methylbutyl 2-methylpropanoate Flavouring ingredient 3-Methylbutyl 2-methylpropanoate 3-methylbutyl isobutyrate FEMA 3507 Isoamyl isobutanoate Isoamyl isobutyrate Isobutyric acid, isopentyl ester Isopentyl 2-methylpropanoate Isopentyl isobutanoate Propanoic acid, 2-methyl-, 3-methylbutyl ester C9H18O2 158.238 158.13067982 3-methylbutyl 2-methylpropanoate 3-methylbutyl 2-methylpropanoate 2050-01-3 CC(C)CCOC(=O)C(C)C InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3 VFTGLSWXJMRZNB-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters fatty acid ester logp 2.89 ALOGPS logs -2.25 ALOGPS solubility 8.90e-01 g/l ALOGPS logp 2.78 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-methylbutyl 2-methylpropanoate ChemAxon average_mass 158.238 ChemAxon mono_mass 158.13067982 ChemAxon smiles CC(C)CCOC(=O)C(C)C ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3 ChemAxon inchikey VFTGLSWXJMRZNB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.04 ChemAxon polarizability 19.2 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3397 Specdb::CMs 28554 Specdb::CMs 101813 Specdb::CMs 156075 Specdb::MsMs 56346 Specdb::MsMs 56347 Specdb::MsMs 56348 Specdb::MsMs 111738 Specdb::MsMs 111739 Specdb::MsMs 111740 Specdb::MsMs 2411125 Specdb::MsMs 2411126 Specdb::MsMs 2411127 Specdb::MsMs 2555194 Specdb::MsMs 2555195 Specdb::MsMs 2555196 Specdb::MsIr 7232 Specdb::MsIr 7233 HMDB36234 #<Reference:0x000055ce33337ca8> Banana Type 1 specific Musa acuminata 4641 apricot banana fruity green pineapple waxy