1.0 2010-04-08 22:11:36 UTC 2025-11-19 00:51:49 UTC FDB015019 3-(Hydroxymethyl)-2-heptanone It is used as a food additive 2-Heptanone, 3-(hydroxymethyl)- 3-(Hydroxymethyl)heptan-2-one 3-Octanon-1-ol C8H16O2 144.2114 144.115029756 3-(hydroxymethyl)heptan-2-one 3-(hydroxymethyl)heptan-2-one 65405-68-7 CCCCC(CO)C(C)=O InChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3 MHOXVRWQBOAOAU-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Beta-hydroxy ketones Hydrocarbon derivatives Organic oxides Primary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy ketone Carbonyl group Fatty alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 1.13 ALOGPS logs -1.19 ALOGPS solubility 9.27e+00 g/l ALOGPS logp 1.4 ChemAxon pka_strongest_acidic 15.32 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-(hydroxymethyl)heptan-2-one ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCC(CO)C(C)=O ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3 ChemAxon inchikey MHOXVRWQBOAOAU-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 40.97 ChemAxon polarizability 17 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13861 Specdb::CMs 44762 Specdb::CMs 137346 Specdb::CMs 145080 Specdb::MsIr 7128 Specdb::MsIr 7129 Specdb::MsIr 7130 Specdb::MsMs 78951 Specdb::MsMs 78952 Specdb::MsMs 78953 Specdb::MsMs 139440 Specdb::MsMs 139441 Specdb::MsMs 139442 Specdb::MsMs 2289165 Specdb::MsMs 2289166 Specdb::MsMs 2289167 Specdb::MsMs 2650058 Specdb::MsMs 2650059 Specdb::MsMs 2650060 Specdb::NmrOneD 134098 Specdb::NmrOneD 134099 Specdb::NmrOneD 134100 Specdb::NmrOneD 134101 Specdb::NmrOneD 134102 Specdb::NmrOneD 134103 Specdb::NmrOneD 134104 Specdb::NmrOneD 134105 Specdb::NmrOneD 134106 Specdb::NmrOneD 134107 Specdb::NmrOneD 134108 Specdb::NmrOneD 134109 Specdb::NmrOneD 134110 Specdb::NmrOneD 134111 Specdb::NmrOneD 134112 Specdb::NmrOneD 134113 Specdb::NmrOneD 134114 Specdb::NmrOneD 134115 Specdb::NmrOneD 134116 Specdb::NmrOneD 134117 HMDB0036165 fruity herbal spicy