1.0 2010-04-08 22:07:54 UTC 2025-11-18 23:06:25 UTC FDB008058 3-Heptanone Flavouring ingredient. 3-Heptanone is found in spearmint. Aethylbutylketon Aethylbutylketon (german) Alkaline potassium sodium tartrate Butyl ethyl ketone Eptan-3-one Ethyl butyl ketone Ethyl butyl ketone 3-Heptanone Ethyl n-butyl ketone Ethyl-n-butyl ketone Ethylbutylcetone Ethylbutylketon Etilbutilchetone Fehling's reagent II for sugars FEMA 2545 Heptan-3-on Heptan-3-one N-butyl ethyl ketone n-C4H9COC2H5 n-Heptan-3-one C7H14O 114.1855 114.10446507 heptan-3-one 3-heptanone 106-35-4 CCCCC(=O)CC InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 NGAZZOYFWWSOGK-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons dialkyl ketone Liquid logp 2.09 ALOGPS logs -1.46 ALOGPS solubility 3.96e+00 g/l ALOGPS melting_point -39 oC logp 2.4 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac heptan-3-one ChemAxon average_mass 114.1855 ChemAxon mono_mass 114.10446507 ChemAxon smiles CCCCC(=O)CC ChemAxon formula C7H14O ChemAxon inchi InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 ChemAxon inchikey NGAZZOYFWWSOGK-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 34.65 ChemAxon polarizability 14.27 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4499 Specdb::MsIr 4500 Specdb::CMs 23201 Specdb::CMs 26815 Specdb::CMs 28325 Specdb::CMs 29304 Specdb::CMs 29632 Specdb::CMs 100811 Specdb::CMs 100812 Specdb::CMs 100813 Specdb::CMs 100814 Specdb::CMs 133022 Specdb::CMs 140756 Specdb::MsMs 83265 Specdb::MsMs 83266 Specdb::MsMs 83267 Specdb::MsMs 144822 Specdb::MsMs 144823 Specdb::MsMs 144824 Specdb::MsMs 2425444 Specdb::MsMs 2425445 Specdb::MsMs 2425446 Specdb::MsMs 2510662 Specdb::MsMs 2510663 Specdb::MsMs 2510664 Specdb::NmrOneD 18922 Specdb::NmrOneD 18923 Specdb::NmrOneD 18924 Specdb::NmrOneD 18925 Specdb::NmrOneD 18926 Specdb::NmrOneD 18927 Specdb::NmrOneD 18928 Specdb::NmrOneD 18929 Specdb::NmrOneD 18930 Specdb::NmrOneD 18931 Specdb::NmrOneD 18932 Specdb::NmrOneD 18933 Specdb::NmrOneD 18934 Specdb::NmrOneD 18935 Specdb::NmrOneD 18936 Specdb::NmrOneD 18937 Specdb::NmrOneD 18938 Specdb::NmrOneD 18939 Specdb::NmrOneD 18940 Specdb::NmrOneD 18941 HMDB31482 50139 #<Reference:0x000055ce32994048> Corn Type 1 specific Zea mays 4577 Spearmint Type 1 specific Mentha spicata 29719 Sweet cherry Type 1 specific Prunus avium 42229 fatty fruity green powerful