1.0 2010-04-08 22:13:10 UTC 2015-07-20 23:39:48 UTC FDB017568 cis-3-Hexenyl cis-3-hexenoate Flavouring ingredient (3Z)-3-Hexen-1-yl ester(3Z)-3-hexenoic acid (3Z)-3-Hexenyl ester(3Z)-3-hexenoic acid (Z)-3-Hexenyl (Z)-3-hexenoate (Z)-Hex-3-enyl (Z)-hex-3-enoate 3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)- 3-Hexenoic acid, (3Z)-3-hexenyl ester, (3Z)- 3-Hexenoic acid, 3-hexenyl ester, (Z,Z)- 3-Hexenyl (Z)-3-hexenoate, (Z)- 3-Hexenyl cis-3-hexenoate, cis- 3-Hexenyl ester(Z,Z)-3-hexenoic acid cis-3-Hexenyl cis-3-hexenoate FEMA 3689 C12H20O2 196.286 196.146329884 (3Z)-hex-3-en-1-yl (3Z)-hex-3-enoate (3Z)-hex-3-en-1-yl (3Z)-hex-3-enoate 61444-38-0 CC\C=C/CCOC(=O)C\C=C/CC InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6- UZJQQWFHPLYECS-SFECMWDFSA-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 4.08 ALOGPS logs -3.73 ALOGPS solubility 3.67e-02 g/l ALOGPS logp 3.45 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (3Z)-hex-3-en-1-yl (3Z)-hex-3-enoate ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles CC\C=C/CCOC(=O)C\C=C/CC ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6- ChemAxon inchikey UZJQQWFHPLYECS-SFECMWDFSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 61.15 ChemAxon polarizability 23.26 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7857 Specdb::MsIr 7858 Specdb::CMs 18258 Specdb::CMs 131875 Specdb::CMs 139609 Specdb::MsMs 73125 Specdb::MsMs 73126 Specdb::MsMs 73127 Specdb::MsMs 132219 Specdb::MsMs 132220 Specdb::MsMs 132221 Specdb::MsMs 2457824 Specdb::MsMs 2457825 Specdb::MsMs 2457826 Specdb::MsMs 2480521 Specdb::MsMs 2480522 Specdb::MsMs 2480523 HMDB38270 #<Reference:0x000055ce31f21b38> fennel green leaf melon metallic pear tomato tropical