1.0 2010-04-08 22:13:43 UTC 2018-05-29 01:36:37 UTC FDB018437 Citronellyl isovalerate It is used in food flavouring (1)-3,7-Dimethyloct-6-enyl isovalerate 3,7-Dimethyl-6-octen-1-yl 3-methylbutanoate 3,7-Dimethyl-6-octenyl 3-methylbutanoate 3,7-Dimethyl-6-octenyl isovalerate 3,7-Dimethyloct-6-enyl isovalerate Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl ester Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester Citronellyl iso-valerate Citronellyl isovalerate C15H28O2 240.3816 240.20893014 3,7-dimethyloct-6-en-1-yl 3-methylbutanoate 3,7-dimethyloct-6-en-1-yl 3-methylbutanoate 68922-10-1 CC(C)CC(=O)OCCC(C)CCC=C(C)C InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3 WZTNQQJXPYEGAF-UHFFFAOYSA-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 5.07 ALOGPS logs -4.41 ALOGPS solubility 9.38e-03 g/l ALOGPS logp 4.63 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3,7-dimethyloct-6-en-1-yl 3-methylbutanoate ChemAxon average_mass 240.3816 ChemAxon mono_mass 240.20893014 ChemAxon smiles CC(C)CC(=O)OCCC(C)CCC=C(C)C ChemAxon formula C15H28O2 ChemAxon inchi InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3 ChemAxon inchikey WZTNQQJXPYEGAF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 73.41 ChemAxon polarizability 29.99 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10583 Specdb::MsMs 10584 Specdb::MsMs 10585 Specdb::MsMs 17255 Specdb::MsMs 17256 Specdb::MsMs 17257 Specdb::MsMs 2468428 Specdb::MsMs 2468429 Specdb::MsMs 2468430 Specdb::MsMs 2498030 Specdb::MsMs 2498031 Specdb::MsMs 2498032 Specdb::CMs 20621 Specdb::CMs 28802 Specdb::CMs 29113 Specdb::CMs 101993 Specdb::CMs 101994 Specdb::CMs 173994 HMDB38954 #<Reference:0x000055ce31fd69e8> apple blackcurrant chamomile herbal honey rose