7512 <common-name>MENTHONE 1,2-GLYCEROL KETAL</common-name> <description>MENTHONE 1,2-GLYCEROL KETAL is an organic compound with the chemical formula C13H24O3 and an average molecular weight of 228.33 g/mol. MENTHONE 1,2-GLYCEROL KETAL belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. In industrial applications, this compound is utilized as a fragrance, as well as a flavouring and nutrient. It has been detected in five recorded sources, including drinking water and water supply. Additionally, it is found in household cleaning and consumer products, specifically within tobacco product cases, pipe accessories, other smoking requisites, and non electric simulated smoking devices. The recorded exposure route for this substance is oral.</description> <cas>63187-91-7</cas> <pubchem-id>162184</pubchem-id> <chemical-formula>C13H24O3</chemical-formula> <weight>228.33</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">2016-05-19T02:13:20Z</created-at> <updated-at type="dateTime">2026-08-19T02:54:40Z</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(C)C1CCC(C)CC11OCC(CO)O1</moldb-smiles> <moldb-formula>C13H24O3</moldb-formula> <moldb-inchi>InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-8-11(7-14)16-13/h9-12,14H,4-8H2,1-3H3</moldb-inchi> <moldb-inchikey>ZBJCYZPANVLBRK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">228.3279</moldb-average-mass> <moldb-mono-mass type="decimal">228.172544634</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>142428</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>CHEM006407</chemdb-id> <dsstox-id>DTXSID20866983</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00003186</susdat-id> <iupac>(9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol</iupac> <moldb-polar-surface-area>38.69</moldb-polar-surface-area> <moldb-refractivity>62.574100000000016</moldb-refractivity> <moldb-polarizability>26.588873767798805</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>14.596468988842378</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9753044642803426</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.00</moldb-alogps-logp> <moldb-alogps-logs>-2.48</moldb-alogps-logs> <moldb-alogps-solubility>7.62e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0034558</sync-id> <structure-inchikey>ZBJCYZPANVLBRK-UHFFFAOYSA-N</structure-inchikey> 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type="dateTime">2026-09-19T04:02:55Z</structure-indexed-at> </compound>