1.0 2010-04-08 22:05:19 UTC 2015-07-20 21:44:40 UTC FDB002293 Linalyl hexanoate Linalyl hexanoate is a food flavorant Linalyl hexanoate belongs to the family of Monoterpenes. These are compounds contaning a chain of two isoprene units. 1-Ethenyl-1,5-dimethyl-4-hexenyl hexanoate 1,5-Dimethyl-1-vinyl-4-hexenyl hexanoate 1,5-Dimethyl-1-vinylhex-4-enyl hexanoate 3,7-Dimethyl-1,6-octadien-3-yl hexanoate FEMA 2643 Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester Hexanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester Linalyl caproate Linalyl capronate Linalyl hexanoate Linalyl hexoate Linalyl n-hexanoate C16H28O2 252.3923 252.20893014 3,7-dimethylocta-1,6-dien-3-yl hexanoate 3,7-dimethylocta-1,6-dien-3-yl hexanoate 7779-23-9 CCCCCC(=O)OC(C)(CCC=C(C)C)C=C InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3 ALKCLFLTXBBMMP-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Acyclic monoterpenoid Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 5.16 ALOGPS logs -5.05 ALOGPS solubility 2.27e-03 g/l ALOGPS logp 5.12 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3,7-dimethylocta-1,6-dien-3-yl hexanoate ChemAxon average_mass 252.3923 ChemAxon mono_mass 252.20893014 ChemAxon smiles CCCCCC(=O)OC(C)(CCC=C(C)C)C=C ChemAxon formula C16H28O2 ChemAxon inchi InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3 ChemAxon inchikey ALKCLFLTXBBMMP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 77.79 ChemAxon polarizability 31.13 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20912 Specdb::CMs 28574 Specdb::CMs 100549 Specdb::CMs 160577 Specdb::MsMs 312535 Specdb::MsMs 312536 Specdb::MsMs 312537 Specdb::MsMs 357817 Specdb::MsMs 357818 Specdb::MsMs 357819 Specdb::MsMs 2278751 Specdb::MsMs 2278752 Specdb::MsMs 2278753 Specdb::MsMs 3089596 Specdb::MsMs 3089597 Specdb::MsMs 3089598 HMDB30429 #<Reference:0x00007f093c130ff0> animal fruity green pear pineapple warm