62139 <common-name>Benzene, 2-methoxy-1-(1-methoxyethoxy)-4-(2-propen-1-yl)-</common-name> <description>Benzene, 2-methoxy-1-(1-methoxyethoxy)-4-(2-propen-1-yl)- is an organic compound with the formula C13H18O3 and an average molecular weight of 222.28 g/mol. Benzene, 2-methoxy-1-(1-methoxyethoxy)-4-(2-propen-1-yl)- belongs to the anisoles, a subclass of phenol ethers within the organic compounds. In terms of classification, it is further categorized as a member of the benzenoids superclass. This compound is utilized industrially as a fragrance.</description> <cas>68213-85-4</cas> <pubchem-id>109222</pubchem-id> <chemical-formula>C13H18O3</chemical-formula> <weight>222.28</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">2026-03-31T21:30:23Z</created-at> <updated-at type="dateTime">2026-08-19T01:32:28Z</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>COC(C)OC1=CC=C(CC=C)C=C1OC</moldb-smiles> <moldb-formula>C13H18O3</moldb-formula> <moldb-inchi>InChI=1S/C13H18O3/c1-5-6-11-7-8-12(13(9-11)15-4)16-10(2)14-3/h5,7-10H,1,6H2,2-4H3</moldb-inchi> <moldb-inchikey>MXSPXFPSWIKNOY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">222.284</moldb-average-mass> <moldb-mono-mass type="decimal">222.125594</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>98211</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>CHEM058032</chemdb-id> <dsstox-id>DTXSID50867529</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00011941</susdat-id> <iupac>2-methoxy-1-(1-methoxyethoxy)-4-prop-2-enylbenzene</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>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0160300</sync-id> <structure-inchikey>MXSPXFPSWIKNOY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800200000000000000000000000000000000000000400000001000000200000000000000000000000000000000000000000000000000000000000000000000000000000100000000008000000300000000000000000000000000000000000040000000100000000000000008040000000000000000001008000040000000000000000000004000000000000000000000000400000000000000000000000001000200080000000000000000000000000000000000000080000000000000400000000000840000000000000000000000080220000000000000000000000000000040000000000000000000200020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEAAAAIABBgBgAAAAAQMIACAAAAAC BgBgAAAAAwEGAGAAAAABAwgAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQGgA AAADAwEGQCgAAAADBAYAYAAAAAICBgBoAAAAAwMBBgBoAAAAAwICBkBoAAAA AwMBBkAoAAAAAwQIACgAAAADAgYAYAAAAAEDCwABAAECAAIDAAIEAAQFIAUG aAwGB2gMBwhoDAgJAAkKAAoLCAIIDGgMDA1oDA0OIA4PAA0FaAxCAQAAAAYF DQwIBwYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:16Z</structure-indexed-at> </compound>