1.0 2010-04-08 22:04:43 UTC 2025-11-18 22:23:57 UTC FDB000811 1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one 1,2-campholide is a member of the class of compounds known as lactones. Lactones are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Thus, 1,2-campholide is considered to be an isoprenoid lipid molecule. 1,2-campholide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-campholide can be found in herbs and spices, which makes 1,2-campholide a potential biomarker for the consumption of this food product. 1,2-Campholide C10H16O2 168.2328 168.115029756 1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one 1,2-campholide 1126-91-6 CC1(C)C2CCC1(C)OC(=O)C2 InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3 AXRMSBLBSHJLGO-UHFFFAOYSA-N belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Lactones Organic compounds Organoheterocyclic compounds Lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Delta valerolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Oxepanes Aliphatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Oxepane Bicyclic monoterpenoids Bicyclic monoterpenoids delta-lactone logp 2.70 ALOGPS logs -2.21 ALOGPS solubility 1.04e+00 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one ChemAxon average_mass 168.2328 ChemAxon mono_mass 168.115029756 ChemAxon smiles CC1(C)C2CCC1(C)OC(=O)C2 ChemAxon formula C10H16O2 ChemAxon inchi InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3 ChemAxon inchikey AXRMSBLBSHJLGO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.51 ChemAxon polarizability 18.52 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25299 Specdb::CMs 154086 Specdb::MsMs 43761 Specdb::MsMs 43762 Specdb::MsMs 43763 Specdb::MsMs 131532 Specdb::MsMs 131533 Specdb::MsMs 131534 Specdb::MsMs 2448266 Specdb::MsMs 2448267 Specdb::MsMs 2448268 Specdb::MsMs 2518203 Specdb::MsMs 2518204 Specdb::MsMs 2518205 HMDB0037821 Common sage Type 1 specific Salvia officinalis 38868