62423 <common-name>1,1-Heptanediol, 1,1-diacetate</common-name> <description>1,1-Heptanediol, 1,1-diacetate is an organic compound with the formula C11H20O4 and an average molecular weight of 216.28 g/mol. 1,1-Heptanediol, 1,1-diacetate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, this substance is utilized as a fragrance.</description> <cas>56438-09-6</cas> <pubchem-id>91861</pubchem-id> <chemical-formula>C11H20O4</chemical-formula> <weight>216.27</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">2026-03-31T22:02:27Z</created-at> <updated-at type="dateTime">2026-08-18T13:13:03Z</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>CCCCCCC(OC(C)=O)OC(C)=O</moldb-smiles> <moldb-formula>C11H20O4</moldb-formula> <moldb-inchi>InChI=1S/C11H20O4/c1-4-5-6-7-8-11(14-9(2)12)15-10(3)13/h11H,4-8H2,1-3H3</moldb-inchi> <moldb-inchikey>FZWKNDYRQQUQEC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">216.277</moldb-average-mass> <moldb-mono-mass type="decimal">216.136159</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82944</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>CHEM058316</chemdb-id> <dsstox-id>DTXSID00866562</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012526</susdat-id> <iupac>1-acetyloxyheptyl acetate</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>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0173407</sync-id> <structure-inchikey>FZWKNDYRQQUQEC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000400800000000000000000000000000000008000000000000000000002000100000000000000000000000000000000000000000000000000000000000000000000010000080000000020000000000100000000001000000000000020010000000000000000000000000000000000000000000000000000400010000040000000000000000000010000000000000000000000000000000000100000000000000000000000000020000000000008000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������(�������(�������`�������(�������(�������(�������`�������(����������������������������� � �� (������ � ���(�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:29Z</structure-indexed-at> </compound>