1.0 2010-04-08 22:05:19 UTC 2019-11-26 02:57:17 UTC FDB002291 Linalyl butyrate Linalyl butyrate is used in perfumery and food flavouring. Present in oils of kumquat peel, lavender and Artemesia porrecta var. coerulea. It is also found in herbs and spices and fruits. 1-Ethenyl-1,5-dimethyl-4-hexenyl butanoate 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate 1,6-Octadien-3-ol, 3,7-dimethyl-, butyrate 3,7-Dimethyl-1,6-octadien-3-yl butanoate 3,7-Dimethyl-1,6-octadien-3-yl butyrate Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester Butyric acid, 1, 5-dimethyl-1-vinyl-4-hexenyl ester Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester (8CI) Butyric acid, linalyl ester FEMA 2639 Linalyl butanoate Linalyl butyrate C14H24O2 224.3392 224.177630012 3,7-dimethylocta-1,6-dien-3-yl butanoate 3,7-dimethylocta-1,6-dien-3-yl butanoate 78-36-4 CCCC(=O)OC(C)(CCC=C(C)C)C=C InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3 FHLGUOHLUFIAAA-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds 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 acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 4.80 ALOGPS logs -4.16 ALOGPS solubility 1.56e-02 g/l ALOGPS logp 4.23 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3,7-dimethylocta-1,6-dien-3-yl butanoate ChemAxon average_mass 224.3392 ChemAxon mono_mass 224.177630012 ChemAxon smiles CCCC(=O)OC(C)(CCC=C(C)C)C=C ChemAxon formula C14H24O2 ChemAxon inchi InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3 ChemAxon inchikey FHLGUOHLUFIAAA-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.59 ChemAxon polarizability 27.36 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20044 Specdb::CMs 28294 Specdb::CMs 100547 Specdb::CMs 166042 Specdb::MsMs 74031 Specdb::MsMs 74032 Specdb::MsMs 74033 Specdb::MsMs 133311 Specdb::MsMs 133312 Specdb::MsMs 133313 Specdb::MsMs 3058576 Specdb::MsMs 3058577 Specdb::MsMs 3058578 Specdb::MsMs 3108142 Specdb::MsMs 3108143 Specdb::MsMs 3108144 HMDB30427 #<Reference:0x000055ce332153c0> Fruits Unknown generic Herbs and Spices Unknown generic banana bergamot berry fruity pear sweet