1.0 2010-04-08 22:06:59 UTC 2025-11-18 23:00:55 UTC FDB006110 Lavandulyl butyrate Lavandulyl butyrate is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Lavandulyl butyrate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Lavandulyl butyrate can be found in spearmint, which makes lavandulyl butyrate a potential biomarker for the consumption of this food product. C14H24O2 224.344 224.177630013 5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl butanoate 5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl butanoate CCCC(=O)OCC(CC=C(C)C)C(C)=C InChI=1S/C14H24O2/c1-6-7-14(15)16-10-13(12(4)5)9-8-11(2)3/h8,13H,4,6-7,9-10H2,1-3,5H3 ROJSUZRYGHOLJL-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 logp 4.87 ALOGPS logs -3.61 ALOGPS solubility 5.54e-02 g/l ALOGPS logp 3.91 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl butanoate ChemAxon average_mass 224.344 ChemAxon mono_mass 224.177630013 ChemAxon smiles CCCC(=O)OCC(CC=C(C)C)C(C)=C ChemAxon formula C14H24O2 ChemAxon inchi InChI=1S/C14H24O2/c1-6-7-14(15)16-10-13(12(4)5)9-8-11(2)3/h8,13H,4,6-7,9-10H2,1-3,5H3 ChemAxon inchikey ROJSUZRYGHOLJL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.51 ChemAxon polarizability 27.38 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 107049 Specdb::MsMs 107050 Specdb::MsMs 107051 Specdb::MsMs 173925 Specdb::MsMs 173926 Specdb::MsMs 173927 Specdb::MsMs 3602510 Specdb::MsMs 3602511 Specdb::MsMs 3602512 Specdb::MsMs 3602513 Specdb::MsMs 3602514 Specdb::MsMs 3602515 Spearmint Type 1 specific Mentha spicata 29719