1.0 2010-04-08 22:12:58 UTC 2025-11-19 01:52:53 UTC FDB017248 2-Methylbutyl 3-methylbutanoate Flavouring ingredient. 2-Methylbutyl 3-methylbutanoate is found in spearmint. 2-Methyl butyl-3-methyl butyrate 2-Methylbutyl 3-methylbutanoate 2-Methylbutyl isopentanoate 2-Methylbutyl isovalerate 2-methylbutyl isovalerate (2-methylbutyl-3-methyl butyrate) 2-Methylbutyl isovalerianate 3-Methylbutanoic acid, 2-methylbutyl ester Butanoic acid, 3-methyl-, 2-methylbutyl ester FEMA 3506 Isovaleric acid, 2-methylbutyl ester C10H20O2 172.2646 172.146329884 2-methylbutyl 3-methylbutanoate 2-methylbutyl 3-methylbutanoate 2445-77-4 CCC(C)COC(=O)CC(C)C InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3 CYGPPWVXOWCHJB-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 3.53 ALOGPS logs -2.69 ALOGPS solubility 3.53e-01 g/l ALOGPS logp 3.04 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylbutyl 3-methylbutanoate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCC(C)COC(=O)CC(C)C ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3 ChemAxon inchikey CYGPPWVXOWCHJB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.53 ChemAxon polarizability 20.77 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7793 Specdb::MsIr 7794 Specdb::CMs 12253 Specdb::CMs 28377 Specdb::CMs 101921 Specdb::CMs 146125 Specdb::MsMs 106071 Specdb::MsMs 106072 Specdb::MsMs 106073 Specdb::MsMs 172725 Specdb::MsMs 172726 Specdb::MsMs 172727 Specdb::MsMs 2293470 Specdb::MsMs 2293471 Specdb::MsMs 2293472 Specdb::MsMs 2645661 Specdb::MsMs 2645662 Specdb::MsMs 2645663 HMDB38038 #<Reference:0x000055ce3024f780> Spearmint Type 1 specific Mentha spicata 29719 apple cheese earthy fruity green herbal soapy