1.0 2010-04-08 22:07:25 UTC 2025-11-18 23:03:30 UTC FDB007038 Hexen-2-al 2-hexenal, also known as hexobarbital, sodium or 3-propyl-acrolein, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. 2-hexenal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-hexenal is a sweet, almond, and apple tasting compound and can be found in a number of food items such as apple, burdock, pot marjoram, and soy bean, which makes 2-hexenal a potential biomarker for the consumption of these food products. 2-hexenal can be found primarily in blood, feces, and saliva. 2-hexenal is a non-carcinogenic (not listed by IARC) potentially toxic compound. C6H10O 98.143 98.073164942 hex-2-enal hexenal 505-57-7 CCCC=CC=O InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3 MBDOYVRWFFCFHM-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Medium-chain aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Enals Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Enal Hydrocarbon derivative Medium-chain aldehyde Organic oxide a 2-alkenal enal hexenal logp 1.80 ALOGPS logs -1.49 ALOGPS solubility 3.20e+00 g/l ALOGPS logp 1.65 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac hex-2-enal ChemAxon average_mass 98.143 ChemAxon mono_mass 98.073164942 ChemAxon smiles CCCC=CC=O ChemAxon formula C6H10O ChemAxon inchi InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3 ChemAxon inchikey MBDOYVRWFFCFHM-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 31.24 ChemAxon polarizability 11.57 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26036 Specdb::CMs 125595 Specdb::MsMs 21359 Specdb::MsMs 21360 Specdb::MsMs 21361 Specdb::MsMs 22910 Specdb::MsMs 22911 Specdb::MsMs 22912 Specdb::MsMs 3438358 Specdb::MsMs 3438359 Specdb::MsMs 3438360 Specdb::MsMs 3438361 Specdb::MsMs 3438362 Specdb::MsMs 3438363 HMDB0031496 Black elderberry Type 1 specific Sambucus nigra 4202 fat rancid