7427 <common-name>LINALYL HEXANOATE</common-name> <description>LINALYL HEXANOATE is a chemical compound with the formula CH5AsO3 and an average molecular weight of 139.97 g/mol. LINALYL HEXANOATE belongs to the organoarsenic compounds, a subclass of organometalloid compounds within the organic compounds. In industrial applications, this compound serves as a fragrance, as well as a flavouring and nutrient. It is associated with nine recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, communication cables or conductors, emergency protective devices, gas filled discharge tubes with solid cathode, and power cables. In the building and construction sector, it is released from roofs and sunshades awnings or outside screens. Additionally, it is found in food, food processing and cookware, specifically in the processing of meats.</description> <cas>7779-23-9</cas> <pubchem-id>564550</pubchem-id> <chemical-formula>CH5AsO3</chemical-formula> <weight>252.39</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">2016-05-19T02:12:27Z</created-at> <updated-at type="dateTime">2026-08-19T17:38:34Z</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>C[As](O)(O)=O</moldb-smiles> <moldb-formula>CH5AsO3</moldb-formula> <moldb-inchi>InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)</moldb-inchi> <moldb-inchikey>QYPPRTNMGCREIM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">139.9702</moldb-average-mass> <moldb-mono-mass type="decimal">139.945465443</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>490773</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>CHEM006322</chemdb-id> <dsstox-id>DTXSID3052519</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012343</susdat-id> <iupac>3,7-dimethylocta-1,6-dien-3-yl hexanoate</iupac> <moldb-polar-surface-area>57.53</moldb-polar-surface-area> <moldb-refractivity>11.8974</moldb-refractivity> <moldb-polarizability>8.140744707305412</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>4.196018882390285</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-1.05</moldb-alogps-logp> <moldb-alogps-logs>0.61</moldb-alogps-logs> <moldb-alogps-solubility>5.69e+02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organometallic compounds</superklass> <klass>Organometalloid compounds</klass> <subklass>Organoarsenic compounds</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0050067</sync-id> <structure-inchikey>QYPPRTNMGCREIM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000000000000000000000000000024000000000000000000000000000000000000010000000000000000000000000000000000000000000000010000000000001040000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>800100000000000000000000000000000000040000002000400000000000000000088000000000c00000000000202000000004000000004400008000000000140000000000000000000042000000300000000100020010000000480800002000000040000000000200401000002000821000000004111000000010080200400008040000000000020000000900100400124000100000000800000000000041800000000000000008000020001003c0000000000000100000000000000000000000040000020000000000000080000000000000400000000000000000000000000600000000000000000000000000000001004000000000000010000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAFAAAABAAAAIABBgBgAAAAAQMhICAAAAAF CABgAAAAAQEIAGAAAAABAQgAKAAAAAMCCwABAAECAAEDAAEECAJCAAAAABcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:53Z</structure-indexed-at> </compound>