1.0 2010-04-08 22:05:42 UTC 2025-11-18 22:48:46 UTC FDB003214 3,5,5-Trimethyl-1-hexanol (±)-3,5,5-trimethyl-1-hexanol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, (±)-3,5,5-trimethyl-1-hexanol is considered to be a fatty alcohol lipid molecule (±)-3,5,5-trimethyl-1-hexanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Within the cell, (±)-3,5,5-trimethyl-1-hexanol is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. 3,5,5-Trimethyl N-hexanol 3,5,5-Trimethylhexan-1-ol 3,5,5-Trimethylhexanol 3,5,5-Trimethylhexyl alcohol FEMA 3324 C9H20O 144.2545 144.151415262 3,5,5-trimethylhexan-1-ol isononyl alcohol 3452-97-9 CC(CCO)CC(C)(C)C InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3 BODRLKRKPXBDBN-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol logp 3.44 ALOGPS logs -2.38 ALOGPS solubility 6.05e-01 g/l ALOGPS logp 2.57 ChemAxon pka_strongest_acidic 17.11 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 3,5,5-trimethylhexan-1-ol ChemAxon average_mass 144.2545 ChemAxon mono_mass 144.151415262 ChemAxon smiles CC(CCO)CC(C)(C)C ChemAxon formula C9H20O ChemAxon inchi InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3 ChemAxon inchikey BODRLKRKPXBDBN-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 44.91 ChemAxon polarizability 18.57 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20313 Specdb::CMs 28161 Specdb::CMs 28182 Specdb::CMs 28401 Specdb::CMs 42385 Specdb::CMs 100609 Specdb::CMs 100610 Specdb::CMs 100611 Specdb::CMs 160707 Specdb::MsIr 4169 Specdb::MsIr 4170 Specdb::MsIr 4171 Specdb::MsMs 57111 Specdb::MsMs 57112 Specdb::MsMs 57113 Specdb::MsMs 112689 Specdb::MsMs 112690 Specdb::MsMs 112691 Specdb::MsMs 2275788 Specdb::MsMs 2275789 Specdb::MsMs 2275790 Specdb::MsMs 3093568 Specdb::MsMs 3093569 Specdb::MsMs 3093570 HMDB0031198 Rosemary Type 1 specific Rosmarinus officinalis 39367 8.05 8.05 8.05 mg/100 g aldehydic earthy floral grassy green hay leaf straw weedy