1.0 2010-04-08 22:12:19 UTC 2025-11-19 01:45:40 UTC FDB016234 Citronellyl butyrate Constituent of Ceylon citronella oil, tomato, orange juice and passion fruit juice. Flavouring ingredient. Citronellyl butyrate is found in many foods, some of which are garden tomato, citrus, fruits, and herbs and spices. (1)-3,7-Dimethyloct-6-enyl butyrate 3,7-Dimethyl-6-octen-1-yl butyrate 3,7-Dimethyl-6-octenyl butanoate Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester Butanoic acid, 3,7-dimethyl-6-octenyl ester Butyric acid, 3,7-dimethyl-6-octenyl ester (8CI) Butyric acid, ester with citronellol Citronellyl butyrate E275 FEMA 2312 C14H26O2 226.355 226.193280076 3,7-dimethyloct-6-en-1-yl butanoate 3,7-dimethyloct-6-en-1-yl butanoate 141-16-2 CCCC(=O)OCCC(C)CCC=C(C)C InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3 XQPZQXTWYZAXAK-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 4.93 ALOGPS logs -4.29 ALOGPS solubility 1.17e-02 g/l ALOGPS logp 4.34 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3,7-dimethyloct-6-en-1-yl butanoate ChemAxon average_mass 226.355 ChemAxon mono_mass 226.193280076 ChemAxon smiles CCCC(=O)OCCC(C)CCC=C(C)C ChemAxon formula C14H26O2 ChemAxon inchi InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3 ChemAxon inchikey XQPZQXTWYZAXAK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.87 ChemAxon polarizability 28.23 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1758 Specdb::CMs 12217 Specdb::CMs 28295 Specdb::CMs 28800 Specdb::CMs 101863 Specdb::CMs 101864 Specdb::CMs 134602 Specdb::CMs 142336 Specdb::MsMs 47160 Specdb::MsMs 47161 Specdb::MsMs 47162 Specdb::MsMs 121026 Specdb::MsMs 121027 Specdb::MsMs 121028 Specdb::MsMs 2703126 Specdb::MsMs 2703127 Specdb::MsMs 2703128 Specdb::MsMs 3002647 Specdb::MsMs 3002648 Specdb::MsMs 3002649 HMDB37227 #<Reference:0x000055ce335dc1e8> Citrus Unknown generic Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Herbs and Spices Unknown generic floral fruit fruity geranium green rose sweet tropical waxy