1.0 2010-04-08 22:07:16 UTC 2025-11-18 23:02:35 UTC FDB006705 trans-Epoxydihydrolinalool Linalool 3,6-oxide is a member of the class of compounds known as tetrahydrofurans. Tetrahydrofurans are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Linalool 3,6-oxide is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Linalool 3,6-oxide is an alcohol, camphor, and fenchyl tasting compound and can be found in a number of food items such as roselle, fig, citrus, and ginger, which makes linalool 3,6-oxide a potential biomarker for the consumption of these food products. Linalool 3,6-oxide can be found primarily in urine. Linalool oxide, trans- Linalool, epoxydihydro-, trans- (8CI) trans-Linalool oxide C10H18O2 170.2487 170.13067982 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol linalool oxide 11063-78-8 CC(C)(O)C1CCC(C)(O1)C=C InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3 BRHDDEIRQPDPMG-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Tertiary alcohols Alcohol Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Tertiary alcohol Tetrahydrofuran logp 1.51 ALOGPS logs -2.05 ALOGPS solubility 1.50e+00 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 14.32 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC(C)(O)C1CCC(C)(O1)C=C ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3 ChemAxon inchikey BRHDDEIRQPDPMG-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 49.04 ChemAxon polarizability 19.52 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15433 Specdb::CMs 29637 Specdb::CMs 44635 Specdb::CMs 101773 Specdb::CMs 155501 Specdb::MsMs 8999 Specdb::MsMs 9000 Specdb::MsMs 9001 Specdb::MsMs 15671 Specdb::MsMs 15672 Specdb::MsMs 15673 Specdb::MsMs 2758578 Specdb::MsMs 2758579 Specdb::MsMs 2758580 Specdb::MsMs 2950611 Specdb::MsMs 2950612 Specdb::MsMs 2950613 HMDB0035907 Apricot Type 1 specific Prunus armeniaca 36596