1.0 2010-04-08 22:13:27 UTC 2019-11-26 03:15:33 UTC FDB018005 Geranyl butyrate Found in citrus peel oils, kumquat peel oil, celery leaves/stalks, tomato, yellow passion fruit, lavender oil and other essential oils. Flavouring agent (2E)-3,7-Dimethyl-2,6-octadienyl butyrate (Z)-3,7-Dimethyl-2,6-octadienyl butanoate (Z)-3,7-Dimethyl-2,6-octadienyl butyrate 2,6-Octadien-1-ol, 3,7-dimethyl-, butyrate, (E)- 3,7-Dimethyl-2,6-octadien-1-yl butanoate, trans- 3,7-Dimethyl-2,6-octadienyl butanoate, (E)- 3,7-Dimethyl-2,6-octadienyl butyrate, (E)- 3,7-Dimethyl-2,6-octadienyl ester(Z)-butanoic acid 3,7-Dimethyl-2,6-octadienyl ester(Z)-butyric acid 3,7-Dimethyl-2,6-octadienyl esterz)-butanoic acid Butanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester Butanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- Butyric acid geranyl ester Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- cis-3,7-Dimethyl-2,6-octadienyl butanoate FEMA 2512 Geraniol butyrate Geranyl butanoate Geranyl butyrate Geranyl n-butyrate N-butyric acid, geranyl ester Neryl n-butyrate trans-3,7-Dimethyl-2,6-octadien-1-yl butyrate C14H24O2 224.3392 224.177630012 (2Z)-3,7-dimethylocta-2,6-dien-1-yl butanoate (2Z)-3,7-dimethylocta-2,6-dien-1-yl butanoate 999-40-6 CCCC(=O)OC\C=C(\C)CCC=C(C)C InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10- ZSBOMYJPSRFZAL-RAXLEYEMSA-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 5.07 ALOGPS logs -3.58 ALOGPS solubility 5.97e-02 g/l ALOGPS logp 4.09 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2Z)-3,7-dimethylocta-2,6-dien-1-yl butanoate ChemAxon average_mass 224.3392 ChemAxon mono_mass 224.177630012 ChemAxon smiles CCCC(=O)OC\C=C(\C)CCC=C(C)C ChemAxon formula C14H24O2 ChemAxon inchi InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10- ChemAxon inchikey ZSBOMYJPSRFZAL-RAXLEYEMSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 69.56 ChemAxon polarizability 27.63 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16897 Specdb::CMs 28386 Specdb::CMs 101945 Specdb::CMs 158436 Specdb::MsMs 103956 Specdb::MsMs 103957 Specdb::MsMs 103958 Specdb::MsMs 170124 Specdb::MsMs 170125 Specdb::MsMs 170126 Specdb::MsMs 2260822 Specdb::MsMs 2260823 Specdb::MsMs 2260824 Specdb::MsMs 3078228 Specdb::MsMs 3078229 Specdb::MsMs 3078230 HMDB38259 #<Reference:0x000055ce33144400> Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Citrus Unknown generic Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Green vegetables Unknown generic Lemon Type 1 specific Citrus limon 2708 Wild celery Type 1 specific Apium graveolens 4045 apple fruit fruity raspberry rose sweet tropical waxy Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.