1.0 2010-04-08 22:05:48 UTC 2019-11-26 02:59:14 UTC FDB003451 beta-Kessyl alcohol Constituent of Valeriana officinalis (valerian). beta-Kessyl alcohol is found in tea, fats and oils, and herbs and spices. b-Kessyl alcohol C15H26O2 238.3657 238.193280076 1,5-dimethyl-8-(propan-2-yl)-11-oxatricyclo[6.2.1.0²,⁶]undecan-3-ol 8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0²,⁶]undecan-3-ol 3466-70-4 CC(C)C12CCC(C)(O1)C1C(O)CC(C)C1C2 InChI=1S/C15H26O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-13,16H,5-8H2,1-4H3 VWQSEENZNJRXDR-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 heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Oxanes Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 2.55 ALOGPS logs -3.50 ALOGPS solubility 7.46e-02 g/l ALOGPS melting_point Mp 150.5-151° logp 2.52 ChemAxon pka_strongest_acidic 14.84 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1,5-dimethyl-8-(propan-2-yl)-11-oxatricyclo[6.2.1.0²,⁶]undecan-3-ol ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CC(C)C12CCC(C)(O1)C1C(O)CC(C)C1C2 ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-13,16H,5-8H2,1-4H3 ChemAxon inchikey VWQSEENZNJRXDR-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 68.25 ChemAxon polarizability 28.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13162 Specdb::CMs 42459 Specdb::CMs 134625 Specdb::CMs 142359 Specdb::MsMs 71322 Specdb::MsMs 71323 Specdb::MsMs 71324 Specdb::MsMs 129966 Specdb::MsMs 129967 Specdb::MsMs 129968 Specdb::MsMs 2690759 Specdb::MsMs 2690760 Specdb::MsMs 2690761 Specdb::MsMs 2988341 Specdb::MsMs 2988342 Specdb::MsMs 2988343 HMDB31384 #<Reference:0x000055ce32cf54a8> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442