12983 <common-name>Octaneperoxoic acid</common-name> <description>Octaneperoxoic acid is an organic compound with the chemical formula C8H16O3 and an average molecular weight of 160.21 g/mol. Octaneperoxoic acid belongs to the peroxycarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been identified in or released from three recorded sources: soap dispensers used in household cleaning and consumer products, fish processing within food and cookware, and pesticides used in agriculture and land management. Exposure to octaneperoxoic acid may occur through oral or inhalation routes.</description> <cas>33734-57-5</cas> <pubchem-id>10313247</pubchem-id> <chemical-formula>C8H16O3</chemical-formula> <weight>160.21</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">2016-05-19T03:46:14Z</created-at> <updated-at type="dateTime">2026-08-24T17:13:16Z</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>CCCCCCCC(=O)OO</moldb-smiles> <moldb-formula>C8H16O3</moldb-formula> <moldb-inchi>InChI=1S/C8H16O3/c1-2-3-4-5-6-7-8(9)11-10/h10H,2-7H2,1H3</moldb-inchi> <moldb-inchikey>CVXHBROPWMVEQO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">160.2108</moldb-average-mass> <moldb-mono-mass type="decimal">160.109944378</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8488712</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>CHEM011878</chemdb-id> <dsstox-id>DTXSID7074618</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007330</susdat-id> <iupac>octaneperoxoic acid</iupac> <moldb-polar-surface-area>46.53</moldb-polar-surface-area> <moldb-refractivity>41.912600000000005</moldb-refractivity> <moldb-polarizability>18.178425007533637</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>7.66485639268891</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.007191813838248</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.46</moldb-alogps-logp> <moldb-alogps-logs>-2.04</moldb-alogps-logs> <moldb-alogps-solubility>1.45e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Peroxycarboxylic acids and derivatives</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0067003</sync-id> <structure-inchikey>CVXHBROPWMVEQO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000002000400000000000000000000000000000000000000000000000000000000000000000000010000000000000020000000000100000000000000000000000020010000000000000000000000000000000000000000000000200000000000000040000000000000000000010000000000000000000000000000001000000000000000000000000000002001002000000008000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000010400000000000000000000000400000000</structure-fingerprint> <structure-pattern-fingerprint>200000060008000000000020000000000000040000001000400000000440000000008000000000010000000000042000801004000000004430002000008411000000000000000000200042010000000000400000020000042000000900082000000000020000000000402000002000001000046000110900000010000200440000044000000800000088000000100400024440000000040800000000000041000000000000000008000004000002c0000000000800000000000000000000000000040000000080000000000000000000000000400000000000080000000000080000000000010000000000000000000010004000000004000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�����������������������������(�� �B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:57Z</structure-indexed-at> </compound>