1.0 2010-04-08 22:07:42 UTC 2025-11-18 23:05:09 UTC FDB007640 6,10,14-Trimethylpentadecan-2-one 6,10,14-trimethylpentadecan-2-one, also known as hexahydrofarnesylacetone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 6,10,14-trimethylpentadecan-2-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 6,10,14-trimethylpentadecan-2-one is a celery, fat, and herbal tasting compound and can be found in a number of food items such as sweet basil, common oregano, roselle, and wild celery, which makes 6,10,14-trimethylpentadecan-2-one a potential biomarker for the consumption of these food products. 2-Pentadecanone, 6,10,14-trimethyl- 6,10,14-Trimethyl-2-pentadecanone 6,10,14-Trimethylpentadecan-2-one 6,10,14-trimethylpentadecanone Hexahydrofarnesyl acetone Hexahydrofarnesylacetone Perhydrofarnesyl acetone Phytone C18H36O 268.4778 268.276615774 6,10,14-trimethylpentadecan-2-one 6,10,14-trimethylpentadecan-2-one 502-69-2 CC(C)CCCC(C)CCCC(C)CCCC(C)=O InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3 WHWDWIHXSPCOKZ-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic acyclic compounds Hydrocarbon derivatives Ketones Organic oxides Aliphatic acyclic compound Carbonyl group Farsesane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 7.48 ALOGPS logs -6.83 ALOGPS solubility 3.97e-05 g/l ALOGPS logp 6.56 ChemAxon pka_strongest_acidic 19.64 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 6,10,14-trimethylpentadecan-2-one ChemAxon average_mass 268.4778 ChemAxon mono_mass 268.276615774 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCCC(C)=O ChemAxon formula C18H36O ChemAxon inchi InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3 ChemAxon inchikey WHWDWIHXSPCOKZ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 85.08 ChemAxon polarizability 36.16 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1585 Specdb::MsMs 104880 Specdb::MsMs 104881 Specdb::MsMs 104882 Specdb::MsMs 171243 Specdb::MsMs 171244 Specdb::MsMs 171245 Specdb::MsMs 3604199 Specdb::MsMs 3604200 Specdb::MsMs 3604201 Specdb::MsMs 3604202 Specdb::MsMs 3604203 Specdb::MsMs 3604204 Blackberry Type 1 specific Rubus Common oregano Type 1 specific Origanum vulgare 39352 0.15 0.15 0.15 mg/100 g Corn Type 1 specific Zea mays 4577 Evergreen blackberry Type 1 specific Rubus laciniatus Roselle Type 1 specific Hibiscus sabdariffa 183260 Spearmint Type 1 specific Mentha spicata 29719 Sweet basil Type 1 specific Ocimum basilicum 39350 Wild celery Type 1 specific Apium graveolens 4045 celery fat herbal jasmin oily woody