1.0 2010-04-08 22:05:49 UTC 2025-11-18 22:52:47 UTC FDB003486 (Z)-2-Heptenal (z)-2-heptenal 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 (z)-2-heptenal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-2-heptenal can be found in safflower, which makes (z)-2-heptenal a potential biomarker for the consumption of this food product. (2Z)-2-Heptenal (Z)-2-Heptenal (Z)-Hept-2-enal 2-Heptenal, (Z)- cis-Hept-2-enal Hept-cis-2-enal C7H12O 112.1696 112.088815006 (2Z)-hept-2-enal (2Z)-hept-2-enal 57266-86-1 CCCC\C=C/C=O InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5- NDFKTBCGKNOHPJ-WAYWQWQTSA-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 logp 2.30 ALOGPS logs -1.99 ALOGPS solubility 1.14e+00 g/l ALOGPS logp 2.09 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2Z)-hept-2-enal ChemAxon average_mass 112.1696 ChemAxon mono_mass 112.088815006 ChemAxon smiles CCCC\C=C/C=O ChemAxon formula C7H12O ChemAxon inchi InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5- ChemAxon inchikey NDFKTBCGKNOHPJ-WAYWQWQTSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 35.84 ChemAxon polarizability 13.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1942 Specdb::CMs 35909 Specdb::MsMs 47802 Specdb::MsMs 47803 Specdb::MsMs 47804 Specdb::MsMs 175920 Specdb::MsMs 175921 Specdb::MsMs 175922 Corn Type 1 specific Zea mays 4577 Safflower Type 1 specific Carthamus tinctorius 4222 0.003 0.003 0.003 mg/100 g