1.0 2010-04-08 22:13:54 UTC 2019-11-26 03:16:38 UTC FDB018751 1-Methylbutyl butanoate 1-Methylbutyl butanoate is a flavouring agent. It is found in bananas, passion fruit and strawberry. 1-Methylbutyl butanoate 1-Methylbutyl butyrate 2-pentyl butanoate 2-Pentyl butyrate Butanoic Acid, 1-methylbutyl Ester Butanoic acid, 2-pentyl ester Butyric acid, sec-pentyl ester FEMA 3893 Sec-amyl butyrate C9H18O2 158.238 158.13067982 pentan-2-yl butanoate pentan-2-yl butanoate 60415-61-4 CCCC(C)OC(=O)CCC InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3 DJOCFLQKCMWABC-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 3.41 ALOGPS logs -2.43 ALOGPS solubility 5.89e-01 g/l ALOGPS logp 2.81 ChemAxon pka_strongest_basic -7 ChemAxon iupac pentan-2-yl butanoate ChemAxon average_mass 158.238 ChemAxon mono_mass 158.13067982 ChemAxon smiles CCCC(C)OC(=O)CCC ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3 ChemAxon inchikey DJOCFLQKCMWABC-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 44.93 ChemAxon polarizability 19.06 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8120 Specdb::MsIr 8121 Specdb::MsMs 84462 Specdb::MsMs 84463 Specdb::MsMs 84464 Specdb::MsMs 146331 Specdb::MsMs 146332 Specdb::MsMs 146333 Specdb::MsMs 2344211 Specdb::MsMs 2344212 Specdb::MsMs 2344213 Specdb::MsMs 2590624 Specdb::MsMs 2590625 Specdb::MsMs 2590626 Specdb::CMs 26511 Specdb::CMs 29160 Specdb::CMs 102018 Specdb::CMs 174506 HMDB39219 #<Reference:0x000055ce2df74580> Fruits Unknown generic apricot banana cashew fruity herbal sweet