1.0 2010-04-08 22:07:25 UTC 2025-11-18 23:03:33 UTC FDB007044 Pentenol Pentenol, also known as pent-4-en-1-ol, is a member of the class of compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Pentenol is soluble (in water) and an extremely weak acidic compound (based on its pKa). Pentenol can be found in black elderberry, which makes pentenol a potential biomarker for the consumption of this food product. 2-Allylethyl alcohol 4-Penten-1-ol 4-Pentene-1-ol 4-Pentenol 4-Pentenol-1 4-Pentenyl alcohol CH2=CHCH2CH2CH2OH pent-4-en-1-ol C5H10O 86.1323 86.073164942 pent-4-en-1-ol 4-penten-1-ol OCCCC=C InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2 LQAVWYMTUMSFBE-UHFFFAOYSA-N belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Primary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol logp 0.80 ALOGPS logs -0.30 ALOGPS solubility 4.28e+01 g/l ALOGPS logp 0.95 ChemAxon pka_strongest_acidic 16.96 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac pent-4-en-1-ol ChemAxon average_mass 86.1323 ChemAxon mono_mass 86.073164942 ChemAxon smiles OCCCC=C ChemAxon formula C5H10O ChemAxon inchi InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2 ChemAxon inchikey LQAVWYMTUMSFBE-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 26.78 ChemAxon polarizability 10.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 88595 Specdb::MsMs 56418 Specdb::MsMs 56419 Specdb::MsMs 56420 Specdb::MsMs 111828 Specdb::MsMs 111829 Specdb::MsMs 111830 Black elderberry Type 1 specific Sambucus nigra 4202