1.0 2011-09-26 22:53:09 UTC 2025-11-19 02:58:03 UTC FDB029632 3-pentanol 3-Pentanol, also known as (C2H5)2choh or 3-pentyl alcohol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R, R'=alkyl, aryl). 3-Pentanol is an extremely weak basic (essentially neutral) compound (based on its pKa). 3-Pentanol is a sweet, fruit, and herbal tasting compound. 3-Pentanol has been detected, but not quantified in, prickly pears. This could make 3-pentanol a potential biomarker for the consumption of these foods. 3-Pentanol is one of eight isomers of amyl alcohol. An amyl alcohol is any of 8 alcohols with the formula C5H12O. A mixture of amyl alcohols (also called amyl alcohol) can be obtained from fusel alcohol. Amyl alcohol is used as a solvent and in esterfication, by which is produced amyl acetate and other important products. The name amyl alcohol without further specification applies to the normal (straight-chain) form, 1-pentanol. C5H12O 88.15 88.088815006 pentan-3-ol 3-pentanol 584-02-1 CCC(O)CC InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3 AQIXEPGDORPWBJ-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol secondary alcohol logp 1.22 ALOGPS logs -0.12 ALOGPS solubility 6.75e+01 g/l ALOGPS logp 1.3 ChemAxon pka_strongest_acidic 18.18 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac pentan-3-ol ChemAxon average_mass 88.15 ChemAxon mono_mass 88.088815006 ChemAxon smiles CCC(O)CC ChemAxon formula C5H12O ChemAxon inchi InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3 ChemAxon inchikey AQIXEPGDORPWBJ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 26.48 ChemAxon polarizability 11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 102855 Specdb::MsMs 1290820 Specdb::MsMs 1290821 Specdb::MsMs 1290822 Specdb::MsMs 1405525 Specdb::MsMs 1405526 Specdb::MsMs 1405527 Specdb::MsMs 3606988 Specdb::MsMs 3606989 Specdb::MsMs 3606990 Specdb::MsMs 3606991 Specdb::MsMs 3606992 Specdb::MsMs 3606993 Prickly pear Type 1 specific Opuntia 106975 fruit herbal nutty oily sweet