1.0 2010-04-08 22:11:36 UTC 2019-11-26 03:11:07 UTC FDB015020 2,3,4-Trimethyl-3-pentanol 2,3,4-Trimethyl-3-pentanol is a flavouring agent for foods. It is found in muscadine grapes, wines and chinese jujube fruit (Zizyphus jujuba). 1,1-Diisopropylethanol 3-Pentanol, 2,3,4-trimethyl- Diisopropylmethylcarbinol FEMA 3903 C8H18O 130.2279 130.135765198 2,3,4-trimethylpentan-3-ol 3-pentanol, 2,3,4-trimethyl- 3054-92-0 CC(C)C(C)(O)C(C)C InChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3 PLSMHHUFDLYURK-UHFFFAOYSA-N belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Tertiary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Tertiary alcohol logp 2.54 ALOGPS logs -1.46 ALOGPS solubility 4.50e+00 g/l ALOGPS logp 2.31 ChemAxon pka_strongest_basic -0.57 ChemAxon iupac 2,3,4-trimethylpentan-3-ol ChemAxon average_mass 130.2279 ChemAxon mono_mass 130.135765198 ChemAxon smiles CC(C)C(C)(O)C(C)C ChemAxon formula C8H18O ChemAxon inchi InChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3 ChemAxon inchikey PLSMHHUFDLYURK-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 40.06 ChemAxon polarizability 16.34 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7131 Specdb::MsIr 7132 Specdb::MsIr 7133 Specdb::CMs 15384 Specdb::CMs 44763 Specdb::CMs 174468 Specdb::MsMs 67149 Specdb::MsMs 67150 Specdb::MsMs 67151 Specdb::MsMs 124890 Specdb::MsMs 124891 Specdb::MsMs 124892 Specdb::MsMs 2737522 Specdb::MsMs 2737523 Specdb::MsMs 2737524 Specdb::MsMs 2968680 Specdb::MsMs 2968681 Specdb::MsMs 2968682 Specdb::NmrOneD 134118 Specdb::NmrOneD 134119 Specdb::NmrOneD 134120 Specdb::NmrOneD 134121 Specdb::NmrOneD 134122 Specdb::NmrOneD 134123 Specdb::NmrOneD 134124 Specdb::NmrOneD 134125 Specdb::NmrOneD 134126 Specdb::NmrOneD 134127 Specdb::NmrOneD 134128 Specdb::NmrOneD 134129 Specdb::NmrOneD 134130 Specdb::NmrOneD 134131 Specdb::NmrOneD 134132 Specdb::NmrOneD 134133 Specdb::NmrOneD 134134 Specdb::NmrOneD 134135 Specdb::NmrOneD 134136 Specdb::NmrOneD 134137 HMDB36166 #<Reference:0x000055ce334216c8> Alcoholic beverages Unknown generic Fruits Unknown generic fruity