1.0 2010-04-08 22:14:56 UTC 2018-05-29 01:45:56 UTC FDB020297 Isopentyl 3-methyl-2-butenoate It is used in flavour industry 2-Butenoic acid, 3-methyl-, 3-methylbutyl ester 3-Methyl-2-butenoic acid, 3-methylbutyl ester Isoamyl senecioate Isopentyl 3-methyl-2-butenoate C10H18O2 170.2487 170.13067982 3-methylbutyl 3-methylbut-2-enoate 3-methylbutyl 3-methylbut-2-enoate 56922-73-7 CC(C)CCOC(=O)C=C(C)C InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3 DBGLRAHCYJTYEH-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 Enoate esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.44 ALOGPS logs -2.32 ALOGPS solubility 8.12e-01 g/l ALOGPS logp 3.15 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 3-methylbutyl 3-methylbut-2-enoate ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC(C)CCOC(=O)C=C(C)C ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3 ChemAxon inchikey DBGLRAHCYJTYEH-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 50.44 ChemAxon polarizability 20.16 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15398 Specdb::CMs 149973 Specdb::MsIr 8995 Specdb::MsIr 8996 Specdb::MsMs 300130 Specdb::MsMs 300131 Specdb::MsMs 300132 Specdb::MsMs 342325 Specdb::MsMs 342326 Specdb::MsMs 342327 Specdb::MsMs 2263813 Specdb::MsMs 2263814 Specdb::MsMs 2263815 Specdb::MsMs 3074772 Specdb::MsMs 3074773 Specdb::MsMs 3074774 HMDB40530 #<Reference:0x000055ce305f3ee0>