62561 <common-name>2-Butanone, 4-(4-methoxyphenyl)-3-methyl-</common-name> <description>2-Butanone, 4-(4-methoxyphenyl)-3-methyl- is an organic compound with the formula C12H16O2 and an average molecular weight of 192.26 g/mol. 2-Butanone, 4-(4-methoxyphenyl)-3-methyl- belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is categorized as a benzenoid. In industrial applications, it is utilized as a fragrance.</description> <cas>67828-19-7</cas> <pubchem-id>97708</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">2026-03-31T22:32:00Z</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>COC1=CC=C(CC(C)C(C)=O)C=C1</moldb-smiles> <moldb-formula>C12H16O2</moldb-formula> <moldb-inchi>InChI=1S/C12H16O2/c1-9(10(2)13)8-11-4-6-12(14-3)7-5-11/h4-7,9H,8H2,1-3H3</moldb-inchi> <moldb-inchikey>NWOQMCFVOCINBU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">192.258</moldb-average-mass> <moldb-mono-mass type="decimal">192.11503</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>88187</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>CHEM058454</chemdb-id> <dsstox-id>DTXSID80867355</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012838</susdat-id> <iupac>4-(4-methoxyphenyl)-3-methylbutan-2-one</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenylpropanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0117564</sync-id> <structure-inchikey>NWOQMCFVOCINBU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000000000000000000000000000000000000000000001000000200200004000000000000001000000000000000000000000000000000000000000000000000000000000020000001000100000200000000000000040000010000010040004000000000000000000000000000000000000000400000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000001000080000000000000000000000000000000000000000000000000000220800000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGAGAAAAACAgYA YAAAAAMBBgBgAAAAAQMGACgAAAADBAYAYAAAAAEDCAAoAAAAAwIGQGgAAAAD AwEGQGgAAAADAwELAAEAAQIgAgNoDAMEaAwEBWgMBQYABgcABwgABwkACQoA CQsIAgUMaAwMDWgMDQJoDEIBAAAABgINDAUEAxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:35Z</structure-indexed-at> </compound>