1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:51 UTC FDB015094 2-Methylallyl butyrate Flavouring ingredient 2-Methylallyl butyrate Butanoic acid, 2-methyl-2-propenyl ester Butyric acid, 2-methylallyl ester FEMA 2678 C8H14O2 142.1956 142.099379692 2-methylprop-2-en-1-yl butanoate 2-methylprop-2-en-1-yl butanoate 7149-29-3 CCCC(=O)OCC(C)=C InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h2,4-6H2,1,3H3 AHRIFIYGSJEEKU-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 2.39 ALOGPS logs -1.37 ALOGPS solubility 6.01e+00 g/l ALOGPS logp 2.04 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylprop-2-en-1-yl butanoate ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CCCC(=O)OCC(C)=C ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h2,4-6H2,1,3H3 ChemAxon inchikey AHRIFIYGSJEEKU-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.09 ChemAxon polarizability 16.42 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71394 Specdb::MsMs 71395 Specdb::MsMs 71396 Specdb::MsMs 130044 Specdb::MsMs 130045 Specdb::MsMs 130046 Specdb::MsMs 2365426 Specdb::MsMs 2365427 Specdb::MsMs 2365428 Specdb::MsMs 2596807 Specdb::MsMs 2596808 Specdb::MsMs 2596809 Specdb::MsIr 7236 Specdb::MsIr 7237 Specdb::NmrOneD 134478 Specdb::NmrOneD 134479 Specdb::NmrOneD 134480 Specdb::NmrOneD 134481 Specdb::NmrOneD 134482 Specdb::NmrOneD 134483 Specdb::NmrOneD 134484 Specdb::NmrOneD 134485 Specdb::NmrOneD 134486 Specdb::NmrOneD 134487 Specdb::NmrOneD 134488 Specdb::NmrOneD 134489 Specdb::NmrOneD 134490 Specdb::NmrOneD 134491 Specdb::NmrOneD 134492 Specdb::NmrOneD 134493 Specdb::NmrOneD 134494 Specdb::NmrOneD 134495 Specdb::NmrOneD 134496 Specdb::NmrOneD 134497 Specdb::CMs 10711 Specdb::CMs 28357 Specdb::CMs 101814 Specdb::CMs 159015 HMDB36236 #<Reference:0x000055ce300a3be8> ether fruity powerful