6460 <common-name>DIHYDRO-BETA-IONONE</common-name> <description>DIHYDRO-BETA-IONONE is an organic compound with the formula C13H22O and an average molecular weight of 194.31 g/mol. DIHYDRO-BETA-IONONE belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. In industrial applications, the compound is utilized as a fragrance, as well as a flavouring and nutrient. It has been recorded as being found in or released from food, food processing and cookware, specifically in the preparation of vinegar. Additionally, DIHYDRO-BETA-IONONE is released in plastics such as polystyrene and polypropylene.</description> <cas>17283-81-7</cas> <pubchem-id>519382</pubchem-id> <chemical-formula>C13H22O</chemical-formula> <weight>194.31</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">2016-05-19T02:01:04Z</created-at> <updated-at type="dateTime">2026-04-17T15:44:53Z</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>CC(=O)CCC1=C(C)CCCC1(C)C</moldb-smiles> <moldb-formula>C13H22O</moldb-formula> <moldb-inchi>InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3</moldb-inchi> <moldb-inchikey>QJJDNZGPQDGNDX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">194.3132</moldb-average-mass> <moldb-mono-mass type="decimal">194.167065326</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>453036</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>CHEM005355</chemdb-id> <dsstox-id>DTXSID4047200</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013271</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>60.7288</moldb-refractivity> <moldb-polarizability>23.909387963182372</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.59519115238362</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.278058155693596</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.86</moldb-alogps-logp> <moldb-alogps-logs>-3.20</moldb-alogps-logs> <moldb-alogps-solubility>1.24e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer">74</paper-count> <sync-id>CED0013808</sync-id> <structure-inchikey>QJJDNZGPQDGNDX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000200000000000000000000000000000000000000000040000000000080000000000000000000010000000000000000000000000080020000000000000000000000000000080000000010000000000000000000000000200020000004000000000000000400800020048000000000000000000000000200000000000000000001000000020000000000000000004000000080000000000000000000000000000000000000000020008008000000000000000000000000000000000002000200000000000000000000000000000000000000000000400000000080000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMEBgAoAAAAAwQGAGAA AAABAwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAIAAAAAQGAGAAAAABAwYA YAAAAAEDCwABAAECCAIBAwADBAAEBQAFBggCBgcABggACAkACQoACgsACwwA Cw0ACwUAQgEAAAAGBQsKCQgGFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:21Z</structure-indexed-at> </compound>