1.0 2010-04-08 22:04:33 UTC 2019-11-26 02:54:45 UTC FDB000411 Geranyl 3-methylbutanoate Constituent of various plant subspecies including kumquat peel oil and lovage leaf and root. Flavouring ingredient. Geranyl 3-methylbutanoate is found in citrus, herbs and spices, and fruits. (2E)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate 2,6-Octadien-1-ol, 3,7-dimethyl-, isovalerate, (E)- FEMA 2518 Geranyl 3-methylbutanoate Geranyl isopentanoate Geranyl isovalerate Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- trans-3,7-Dimethyl-2,6-octadienyl isopentanoate C15H26O2 238.3657 238.193280076 (2Z)-3,7-dimethylocta-2,6-dien-1-yl 3-methylbutanoate (2Z)-3,7-dimethylocta-2,6-dien-1-yl 3-methylbutanoate 109-20-6 CC(C)CC(=O)OC\C=C(\C)CCC=C(C)C InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9- SOUKTGNMIRUIQN-ZROIWOOFSA-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 logp 5.40 ALOGPS logs -3.78 ALOGPS solubility 4.00e-02 g/l ALOGPS logp 4.38 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2Z)-3,7-dimethylocta-2,6-dien-1-yl 3-methylbutanoate ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CC(C)CC(=O)OC\C=C(\C)CCC=C(C)C ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9- ChemAxon inchikey SOUKTGNMIRUIQN-ZROIWOOFSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 74.11 ChemAxon polarizability 29.36 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24411 Specdb::CMs 28811 Specdb::CMs 100295 Specdb::CMs 173877 Specdb::MsMs 55917 Specdb::MsMs 55918 Specdb::MsMs 55919 Specdb::MsMs 111201 Specdb::MsMs 111202 Specdb::MsMs 111203 Specdb::MsMs 2270044 Specdb::MsMs 2270045 Specdb::MsMs 2270046 Specdb::MsMs 3072483 Specdb::MsMs 3072484 Specdb::MsMs 3072485 Citrus Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic apple blueberry fruit fruity green pineapple rose