7141 <common-name>HYDRATROPIC ALDEHYDE PROPYLENE GLYCOL ACETAL</common-name> <description>HYDRATROPIC ALDEHYDE PROPYLENE GLYCOL ACETAL is an organic compound with the formula C12H16O2 and an average molecular weight of 192.25 g/mol. HYDRATROPIC ALDEHYDE PROPYLENE GLYCOL ACETAL belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. In industrial applications, this compound is utilized as a fragrance, as well as a flavouring and nutrient.</description> <cas>67634-23-5</cas> <pubchem-id>236687</pubchem-id> <chemical-formula>C12H16O2</chemical-formula> <weight>192.25</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">2016-05-19T02:09:17Z</created-at> <updated-at type="dateTime">2026-08-18T18:57:11Z</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(C1OCC(C)O1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C12H16O2</moldb-formula> <moldb-inchi>InChI=1S/C12H16O2/c1-9-8-13-12(14-9)10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3</moldb-inchi> <moldb-inchikey>KHLVXMUGPANNQD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">192.2542</moldb-average-mass> <moldb-mono-mass type="decimal">192.115029756</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>206611</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>CHEM006036</chemdb-id> <dsstox-id>DTXSID7052361</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012972</susdat-id> <iupac>4-methyl-2-(1-phenylethyl)-1,3-dioxolane</iupac> <moldb-polar-surface-area>18.46</moldb-polar-surface-area> <moldb-refractivity>55.137800000000006</moldb-refractivity> <moldb-polarizability>22.051478461039842</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.047240586843392</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>2.27</moldb-alogps-logp> <moldb-alogps-logs>-3.00</moldb-alogps-logs> <moldb-alogps-solubility>1.92e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0179669</sync-id> <structure-inchikey>KHLVXMUGPANNQD-UHFFFAOYSA-N</structure-inchikey> 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type="dateTime">2026-09-19T04:02:44Z</structure-indexed-at> </compound>