5686 <common-name>ACETALDEHYDE PHENETHYL PROPYL ACETAL</common-name> <description>ACETALDEHYDE PHENETHYL PROPYL ACETAL is an organic compound with the formula C13H20O2 and an average molecular weight of 208.30 g/mol. ACETALDEHYDE PHENETHYL PROPYL 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. It is recorded as being released from household cleaning and consumer products, specifically bleaching agents.</description> <cas>7493-57-4</cas> <pubchem-id>61403</pubchem-id> <chemical-formula>C13H20O2</chemical-formula> <weight>208.3</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">2016-05-19T01:52:10Z</created-at> <updated-at type="dateTime">2026-08-19T02:15:46Z</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>CCCOC(C)OCCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C13H20O2</moldb-formula> <moldb-inchi>InChI=1S/C13H20O2/c1-3-10-14-12(2)15-11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3</moldb-inchi> <moldb-inchikey>FMYCPRQGKSONCP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.2967</moldb-average-mass> <moldb-mono-mass type="decimal">208.146329884</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>55332</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>CHEM004581</chemdb-id> <dsstox-id>DTXSID2052493</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00011931</susdat-id> <iupac>2-(1-propoxyethoxy)ethylbenzene</iupac> <moldb-polar-surface-area>18.46</moldb-polar-surface-area> <moldb-refractivity>62.34800000000002</moldb-refractivity> <moldb-polarizability>24.821100719518917</moldb-polarizability> <moldb-rotatable-bond-count>7</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>-4.015014676366186</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.03</moldb-alogps-logp> <moldb-alogps-logs>-3.81</moldb-alogps-logs> <moldb-alogps-solubility>3.23e-02 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">167</paper-count> <sync-id>CED0016163</sync-id> <structure-inchikey>FMYCPRQGKSONCP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800000000000000000000000000000000008002000000000001002000008000000000000000004000000000000000000000000800000000000000000000000000000000000000000000000000100000000000000000000000020000000000000000002000000000000000000000000000000000000000000040040200000800000000000000000000000000100000000001000400000000000000000000000000000080000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000220000000000000000000000000000040000000000000000000000000000000000001000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`�������`������� ������`�������`������@(������@h�������@h�������@h�������@h�������@h�������������������������������� � h� �h���h�� h� �h�� h�B����� � �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:03Z</structure-indexed-at> </compound>