18812 <common-name>3,7-Dimethyloctan-3-yl acetate</common-name> <description>3,7-Dimethyloctan-3-yl acetate is an organic compound with the formula C12H24O2 and an average molecular weight of 200.32 g/mol. 3,7-Dimethyloctan-3-yl acetate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, this compound is used as a fragrance.</description> <cas>20780-48-7</cas> <pubchem-id>89385</pubchem-id> <chemical-formula>C12H24O2</chemical-formula> <weight>200.32</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">2016-05-22T04:33:41Z</created-at> <updated-at type="dateTime">2026-08-18T20:57:38Z</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>CCC(C)(CCCC(C)C)OC(C)=O</moldb-smiles> <moldb-formula>C12H24O2</moldb-formula> <moldb-inchi>InChI=1S/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3</moldb-inchi> <moldb-inchikey>RBKRCARRXLFUGJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">200.322</moldb-average-mass> <moldb-mono-mass type="decimal">200.177630013</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>80665</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>CHEM017707</chemdb-id> <dsstox-id>DTXSID5041487</dsstox-id> <toxcast-id>41487</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013216</susdat-id> <iupac>3,7-dimethyloctan-3-yl acetate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>58.61800000000001</moldb-refractivity> <moldb-polarizability>24.675180666447645</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.010722017898651</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>4.56</moldb-alogps-logp> <moldb-alogps-logs>-4.21</moldb-alogps-logs> <moldb-alogps-solubility>1.24e-02 g/l</moldb-alogps-solubility> <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">174676</paper-count> <sync-id>CED0129960</sync-id> <structure-inchikey>RBKRCARRXLFUGJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000010800000002000000000000000000000000000010000000000001003000000000000000000000000800200000000010000000000000000000000000000000000000000000000000020000000000100000000001000000000000000010000040000000000000000000000000000000000000000000000400010000040000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000100080000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAIAAAAAQGAGAAAAABAwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAA AAMBBgBgAAAAAQMGAGAAAAABAwgAKAAAAAMCBgAoAAAAAwQGAGAAAAABAwgA KAAAAAMCCwABAAECAAIDAAIEAAQFAAUGAAYHAAcIAAcJAAIKAAoLIAsMAAsN KAJCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:07:18Z</structure-indexed-at> </compound>