1.0 2010-04-08 22:11:13 UTC 2025-11-19 00:45:50 UTC FDB014361 (±)-3,7-Dimethyl-3-octanol Flavouring ingredient 3,7-Dimethyl-3-octanol C10H22O 158.2811 158.167065326 3,7-dimethyloctan-3-ol 3-octanol, 3,7-dimethyl- 78-69-3 CCC(C)(O)CCCC(C)C InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3 DLHQZZUEERVIGQ-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 alkyl alcohol fatty alcohol tertiary alcohol logp 3.85 ALOGPS logs -2.65 ALOGPS solubility 3.51e-01 g/l ALOGPS melting_point 31.5 oC logp 3.2 ChemAxon pka_strongest_acidic 19.09 ChemAxon pka_strongest_basic -1 ChemAxon iupac 3,7-dimethyloctan-3-ol ChemAxon average_mass 158.2811 ChemAxon mono_mass 158.167065326 ChemAxon smiles CCC(C)(O)CCCC(C)C ChemAxon formula C10H22O ChemAxon inchi InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3 ChemAxon inchikey DLHQZZUEERVIGQ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 49.47 ChemAxon polarizability 20.71 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 904 Specdb::NmrOneD 2637 Specdb::NmrOneD 3324 Specdb::MsIr 6885 Specdb::MsIr 6886 Specdb::MsIr 6887 Specdb::CMs 20530 Specdb::CMs 28587 Specdb::CMs 44276 Specdb::CMs 101728 Specdb::CMs 135746 Specdb::CMs 143480 Specdb::MsMs 73911 Specdb::MsMs 73912 Specdb::MsMs 73913 Specdb::MsMs 133173 Specdb::MsMs 133174 Specdb::MsMs 133175 Specdb::MsMs 2762908 Specdb::MsMs 2762909 Specdb::MsMs 2762910 Specdb::MsMs 2946768 Specdb::MsMs 2946769 Specdb::MsMs 2946770 HMDB35246 #<Reference:0x000055ce33443368>