1.0 2010-04-08 22:14:44 UTC 2019-11-26 03:18:15 UTC FDB020001 Geranyl valerate Isolated from sassafras oil. Geranyl valerate is found in alcoholic beverages. (2E)-3,7-Dimethyl-2,6-octadienyl pentanoate 3,7-Dimethyl-2,6-octadienyl ester(e)-pentanoic acid Geranyl pentanoate Geranyl valerate Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- C15H26O2 238.3657 238.193280076 (2Z)-3,7-dimethylocta-2,6-dien-1-yl pentanoate (2Z)-3,7-dimethylocta-2,6-dien-1-yl pentanoate 10402-47-8 CCCCC(=O)OC\C=C(\C)CCC=C(C)C InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11- CVSWGLSBJFKWMW-KAMYIIQDSA-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 logp 5.61 ALOGPS logs -3.98 ALOGPS solubility 2.49e-02 g/l ALOGPS melting_point Mp 291° logp 4.53 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2Z)-3,7-dimethylocta-2,6-dien-1-yl pentanoate ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CCCCC(=O)OC\C=C(\C)CCC=C(C)C ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11- ChemAxon inchikey CVSWGLSBJFKWMW-KAMYIIQDSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 74.16 ChemAxon polarizability 29.4 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20663 Specdb::CMs 133739 Specdb::CMs 141473 Specdb::MsMs 312025 Specdb::MsMs 312026 Specdb::MsMs 312027 Specdb::MsMs 357157 Specdb::MsMs 357158 Specdb::MsMs 357159 Specdb::MsMs 2292198 Specdb::MsMs 2292199 Specdb::MsMs 2292200 Specdb::MsMs 2646081 Specdb::MsMs 2646082 Specdb::MsMs 2646083 HMDB40281 #<Reference:0x000055ce32aa69b8> Alcoholic beverages Unknown generic fruit fruity pineapple rose