99154 <common-name>4-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-ethoxyphenol</common-name> <description>4-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-ethoxyphenol belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C14H20O4 and an average molecular weight of 252.31 g/mol.</description> <cas>69367-40-4</cas> <pubchem-id>112278</pubchem-id> <chemical-formula>C14H20O4</chemical-formula> <weight>252.31</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">2026-04-05T06:41:17Z</created-at> <updated-at type="dateTime">2026-08-19T07:01:08Z</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>CCOC1=CC(=CC=C1O)C1OCC(C)(C)CO1</moldb-smiles> <moldb-formula>C14H20O4</moldb-formula> <moldb-inchi>InChI=1/C14H20O4/c1-4-16-12-7-10(5-6-11(12)15)13-17-8-14(2,3)9-18-13/h5-7,13,15H,4,8-9H2,1-3H3</moldb-inchi> <moldb-inchikey>XEFZTJTXHMGSFR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">252.31</moldb-average-mass> <moldb-mono-mass type="decimal">252.1361591</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM095047</chemdb-id> <dsstox-id>DTXSID4071976</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061899</susdat-id> <iupac>4-(5,5-dimethyl-1,3-dioxan-2-yl)-2-ethoxyphenol</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 nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0110244</sync-id> <structure-inchikey>XEFZTJTXHMGSFR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2800000000000000000000000000000000000100400000000000002000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000800000000100000001000000000000000000210000000000000000100000000000020002000000000000000000100000000048000000000000000000000000008000000000000080820000000021000000000000002000000000080000000000000000080000100100000000000000000000000000002100000000000000000000000040008000000200000000000010000000000000000040000000000000000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMECABoAAAAAwEBBgBgAAAAAwEIACAAAAACBgBgAAAA AgIGACAAAAAEBgBgAAAAAQMGAGAAAAABAwYAYAAAAAICCAAgAAAAAgsAAQAB AgACAyADBGgMBAVoDAUGaAwGB2gMBwhoDAgJIAUKAAoLAAsMAAwNAA0OAA0P AA0QABARAAgDaAwRCgBCAgAAAAYDCAcGBQQGCwwNEBEKFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:36Z</structure-indexed-at> </compound>