1.0 2010-04-08 22:09:06 UTC 2018-05-28 23:27:50 UTC FDB010404 trans-2-Hexenyl 2-methylbutyrate It is used as a food additive . (E)-2-Hexenyl 2-methylbutyrate (E)-Hex-2-enyl 2-methylbutyrate trans-2-Hexenyl 2-methylbutanoate C11H20O2 184.2753 184.146329884 (2E)-hex-2-en-1-yl 2-methylbutanoate (2E)-hex-2-en-1-yl 2-methylbutanoate 94089-01-7 CCC\C=C\COC(=O)C(C)CC InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+ SXJKRFLZGRFPBD-BQYQJAHWSA-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 3.85 ALOGPS logs -3.19 ALOGPS solubility 1.19e-01 g/l ALOGPS logp 3.62 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (2E)-hex-2-en-1-yl 2-methylbutanoate ChemAxon average_mass 184.2753 ChemAxon mono_mass 184.146329884 ChemAxon smiles CCC\C=C\COC(=O)C(C)CC ChemAxon formula C11H20O2 ChemAxon inchi InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+ ChemAxon inchikey SXJKRFLZGRFPBD-BQYQJAHWSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.25 ChemAxon polarizability 22.57 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24953 Specdb::CMs 29800 Specdb::CMs 101154 Specdb::CMs 131074 Specdb::CMs 138808 Specdb::MsIr 5504 Specdb::MsIr 5505 Specdb::MsMs 321289 Specdb::MsMs 321290 Specdb::MsMs 321291 Specdb::MsMs 368878 Specdb::MsMs 368879 Specdb::MsMs 368880 Specdb::MsMs 2385356 Specdb::MsMs 2385357 Specdb::MsMs 2385358 Specdb::MsMs 2576382 Specdb::MsMs 2576383 Specdb::MsMs 2576384 HMDB32534 #<Reference:0x000055ce3023bf50> fruity