74200 <common-name>Heptyl acetoacetate</common-name> <description>Heptyl acetoacetate is an organic compound with the formula C11H20O3 and an average molecular weight of 200.28 g/mol. Heptyl acetoacetate belongs to the beta-keto acids and derivatives, a subclass of keto acids and derivatives within the organic compounds. It is further classified under the superclass of organic acids and derivatives. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically amplifiers.</description> <cas>42598-96-9</cas> <pubchem-id>95760</pubchem-id> <chemical-formula>C11H20O3</chemical-formula> <weight>200.27</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">2026-04-04T01:26:34Z</created-at> <updated-at type="dateTime">2026-08-18T13:11:39Z</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>CCCCCCCOC(=O)CC(C)=O</moldb-smiles> <moldb-formula>C11H20O3</moldb-formula> <moldb-inchi>InChI=1S/C11H20O3/c1-3-4-5-6-7-8-14-11(13)9-10(2)12/h3-9H2,1-2H3</moldb-inchi> <moldb-inchikey>YAVJSVDUZGIQPQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">200.278</moldb-average-mass> <moldb-mono-mass type="decimal">200.141245</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>86443</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>CHEM070093</chemdb-id> <dsstox-id>DTXSID60195365</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00031219</susdat-id> <iupac>heptyl 3-oxobutanoate</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 acids and derivatives</superklass> <klass>Keto acids and derivatives</klass> <subklass>Beta-keto acids and derivatives</subklass> <paper-count type="integer">75</paper-count> <sync-id>CED0020869</sync-id> <structure-inchikey>YAVJSVDUZGIQPQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40010000000000000800000000000000010000000000000000000000000000000000002008000000000000000000000000000000000000000000000000000000000000000000000010000000000000020000000000100000000000000000000000020010000000000000000000000000000000000000000000000000000400020000040000000000000000000010080000000000000000000000040000000000000000000000000000000002000000000000008000000000000000000000000020000000000000000000000000000000000000000000002000000000000000000000000000000000000000000050400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>2000020e000800000001002000000000000005000000200040020000044000000000800000000001000000000004200080000410000000443000a0000084110000000000000080102000420100000000004000001200040420000009000c2000000000020020000000402000002000801000046004110800000010000200440000044000080800000088080008100400024440000000040800000080000041000008004000000008000024201002c0000200010800000000000000020000000004040000000080000000000200000000000000400000000000080000000000080000000000000000000000200000000010004000000000020050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������(�������`�������(����������������������������� � (�� � ������ ��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:22:44Z</structure-indexed-at> </compound>