78890 <common-name>Heptane-2,4-dione</common-name> <description>Heptane-2,4-dione is an organic compound with the chemical formula C7H12O2 and an average molecular weight of 128.17 g/mol. Heptane-2,4-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is associated with three recorded sources, specifically originating from or being released by electrical and electronic equipment, including antennas, amplifiers, and fixed capacitors and their manufacture.</description> <cas>7307-02-0</cas> <pubchem-id>23732</pubchem-id> <chemical-formula>C7H12O2</chemical-formula> <weight>128.17</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-04T13:16:01Z</created-at> <updated-at type="dateTime">2026-08-23T19:09:36Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCC(=O)CC(C)=O</moldb-smiles> <moldb-formula>C7H12O2</moldb-formula> <moldb-inchi>InChI=1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-5H2,1-2H3</moldb-inchi> <moldb-inchikey>ILPNRWUGFSPGAA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">128.171</moldb-average-mass> <moldb-mono-mass type="decimal">128.08373</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>22191</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM074783</chemdb-id> <dsstox-id>DTXSID70223340</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037470</susdat-id> <iupac>heptane-2,4-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">10</paper-count> <sync-id>CED0035226</sync-id> <structure-inchikey>ILPNRWUGFSPGAA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000800000000000000000000000000000000400000000000000000002000000000000000000000000000000040000000000000200000000000000000000000000000000000000000020000000000000000000000000000000000020010000000000000000000000000000000000000000000000000000400000000040000000000000000000000080000000000000000000000000000000000000000000000000040000000000000000008000000000000000000000000000020008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>4000000000000002000000000000004000000200040000000044000000000800000000001000000000004200000000400000000442000a000008011000000000000000000000042000000000000400000020004002000000800042000000000000020000000400000002000801000004004110800000010000200400000044000000800000008000000100400024440000000000800000000000041000008004000000008000020001002c0000200000800000000000000000000000000040000000080000000000000000000000000400000000000080000000000080000000000000000000000000000000000004000000000020050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� �������€���`�������`�������`�������(�������(�������`�������(�������`�������(��������������������������������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:15Z</structure-indexed-at> </compound>