1.0 2010-04-08 22:12:17 UTC 2015-07-20 23:26:51 UTC FDB016191 Rhodinyl isobutyrate Flavouring ingredient 3,7-Dimethyl-7-octen-1-yl 2-methylpropionate 3,7-Dimethyl-7-octen-1-yl isobutyrate 3,7-Dimethyl-7-octenyl 2-methylpropanoate 3,7-Dimethyloct-7-enyl isobutyrate FEMA 2983 Isobutyric acid, 3,7-dimethyl-7-octenyl ester Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octen-1-yl ester Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester C14H26O2 226.355 226.193280076 3,7-dimethyloct-7-en-1-yl 2-methylpropanoate 3,7-dimethyloct-7-en-1-yl 2-methylpropanoate 138-23-8 CC(C)C(=O)OCCC(C)CCCC(C)=C InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3 KHCGLDOOFYZQKU-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.46 ALOGPS logs -4.27 ALOGPS solubility 1.22e-02 g/l ALOGPS logp 4.49 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3,7-dimethyloct-7-en-1-yl 2-methylpropanoate ChemAxon average_mass 226.355 ChemAxon mono_mass 226.193280076 ChemAxon smiles CC(C)C(=O)OCCC(C)CCCC(C)=C ChemAxon formula C14H26O2 ChemAxon inchi InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3 ChemAxon inchikey KHCGLDOOFYZQKU-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 67.77 ChemAxon polarizability 28.48 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26049 Specdb::CMs 152953 Specdb::MsMs 66903 Specdb::MsMs 66904 Specdb::MsMs 66905 Specdb::MsMs 124587 Specdb::MsMs 124588 Specdb::MsMs 124589 Specdb::MsMs 2816335 Specdb::MsMs 2816336 Specdb::MsMs 2816337 Specdb::MsMs 2892857 Specdb::MsMs 2892858 Specdb::MsMs 2892859 HMDB37189 #<Reference:0x000055ce31a30cf0>