86118 <common-name>1-(2,6-Dimethoxyphenyl)ethan-1-one</common-name> <description>1-(2,6-Dimethoxyphenyl)ethan-1-one is an organic compound with the formula C10H12O3 and an average molecular weight of 180.20 g/mol. 1-(2,6-Dimethoxyphenyl)ethan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It is classified within the superclass of organic oxygen compounds. This substance has been identified in one recorded source, specifically within household cleaning and consumer products, where it is released from tobacco smoke filters.</description> <cas>2040-04-2</cas> <pubchem-id>16267</pubchem-id> <chemical-formula>C10H12O3</chemical-formula> <weight>180.2</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">2026-04-04T21:14:01Z</created-at> <updated-at type="dateTime">2026-08-17T23:51:12Z</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>COC1=CC=CC(OC)=C1C(C)=O</moldb-smiles> <moldb-formula>C10H12O3</moldb-formula> <moldb-inchi>InChI=1/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3</moldb-inchi> <moldb-inchikey>XEUGKOFTYMMX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">180.203</moldb-average-mass> <moldb-mono-mass type="decimal">180.0786442</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM082011</chemdb-id> <dsstox-id>DTXSID10174347</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046383</susdat-id> <iupac>1-(2,6-dimethoxyphenyl)ethanone</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0119650</sync-id> <structure-inchikey>XEUGKOFTNAYMMX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000000000800000000000000000000000000200000000000000000000000000000200000000000000020000000000100000000000000000000000000010000000040000000000000000000000000000000000000000000400001000040000000800000000000000000000000000000000000000000000000000000000000000000000000080000002000000000000000000000000000000880000000000000000000000000000000000000000000000000000200000000000000000800000000000040000000000400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������(������@(������@h�������@h�������@h�������@(�������(�������`������@(�������(�������`�������(����������� ��h���h���h���h��� ���� h� �� �(� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:40Z</structure-indexed-at> </compound>