1.0 2010-04-08 22:04:33 UTC 2019-11-26 02:54:45 UTC FDB000412 Geranyl hexanoate Found in kumquat peel and palmarosa oils, also in purple passion fruit and pawpaw. Flavouring agent (2E)-3,7-Dimethyl-2,6-octadienyl hexanoate (e)-3,7-Dimethyl-2,6-octadienyl hexanoate (E)-3,7-Dimethylocta-2,6-dien-1-yl n-hexanoate 2,6-Octadien-1-ol, 3,7-dimethyl-, hexanoate, (E)- 3,7-Dimethyl-2,6-octadien-1-yl hexanoate, trans- 3,7-Dimethyl-2,6-octadienyl ester(e)-hexanoic acid 3,7-Dimethyl-2,6-octadienyl hexanoate, (E)- 3,7-Dimethyl-hexanoate(e)-2,6-octadien-1-ol 3,7-Dimethylocta-2,6-dien-1-yl ester(e)-hexanoic acid FEMA 2515 Geranyl caproate Geranyl hexanoate Geranyl n-hexanoate Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester Hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester Hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- Hexanoic acid, 3,7-dimethylocta-2,6-dien-1-yl ester, (E)- Neryl caproate Neryl hexanoate trans-3,7-Dimethyl-2,6-octadien-1-yl hexanoate C16H28O2 252.3923 252.20893014 (2Z)-3,7-dimethylocta-2,6-dien-1-yl hexanoate (2Z)-3,7-dimethylocta-2,6-dien-1-yl hexanoate 10032-02-7 CCCCCC(=O)OC\C=C(\C)CCC=C(C)C InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12- ARVSCQUZFFSNKF-QINSGFPZSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Acyclic monoterpenoids 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 alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters Liquid logp 5.90 ALOGPS logs -4.30 ALOGPS solubility 1.27e-02 g/l ALOGPS logp 4.98 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2Z)-3,7-dimethylocta-2,6-dien-1-yl hexanoate ChemAxon average_mass 252.3923 ChemAxon mono_mass 252.20893014 ChemAxon smiles CCCCCC(=O)OC\C=C(\C)CCC=C(C)C ChemAxon formula C16H28O2 ChemAxon inchi InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12- ChemAxon inchikey ARVSCQUZFFSNKF-QINSGFPZSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 78.76 ChemAxon polarizability 31.76 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 319021 Specdb::MsMs 319022 Specdb::MsMs 319023 Specdb::MsMs 365992 Specdb::MsMs 365993 Specdb::MsMs 365994 Specdb::MsMs 2761726 Specdb::MsMs 2761727 Specdb::MsMs 2761728 Specdb::MsMs 2947158 Specdb::MsMs 2947159 Specdb::MsMs 2947160 Specdb::CMs 23923 Specdb::CMs 29115 Specdb::CMs 100296 Specdb::CMs 137594 Specdb::CMs 145328 HMDB29351 #<Reference:0x000055ce32c5a098> Citrus Unknown generic Fruits Unknown generic fruity geranium rose waxy