80329 <common-name>Acetyl chloride, [2,4-bis(1,1-dimethylpropyl)phenoxy]-</common-name> <description>Acetyl chloride, [2,4-bis(1,1-dimethylpropyl)phenoxy]- belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C18H27Cl1O2 and an average molecular weight of 310.86 g/mol.</description> <cas>88-34-6</cas> <pubchem-id>66612</pubchem-id> <chemical-formula>C18H27Cl1O2</chemical-formula> <weight>310.9</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">2026-04-04T15:41:46Z</created-at> <updated-at type="dateTime">2026-08-29T11:29:52Z</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>CCC(C)(C)C1=CC(=C(OCC(Cl)=O)C=C1)C(C)(C)CC</moldb-smiles> <moldb-formula>C18H27Cl1O2</moldb-formula> <moldb-inchi>InChI=1S/C18H27ClO2/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3</moldb-inchi> <moldb-inchikey>KSYTWDUNKAIFLK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">310.86</moldb-average-mass> <moldb-mono-mass type="decimal">310.169958</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>59979</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>CHEM076222</chemdb-id> <dsstox-id>DTXSID2058964</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039255</susdat-id> <iupac>2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl chloride</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>CED0166511</sync-id> <structure-inchikey>KSYTWDUNKAIFLK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800200002000002000000000000000000000000000000000000003000000000000000000000000800000100000000000000000000000200000000800000000000000000000000020000000004100000000000000000000001000010000000000000000100000008000000000000000000000100000000200000040000000000000000000000000000000100000000000000000000000000810000000000000000000080000000040000000080000000000000000000000000000000000200000000000000000400010000000000000000200000000000000000000000000000040000000000400000000000020000000080000000004</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAIAAAAAQGAGAAAAABAwYAYAAAAAEDBkAoAAAAAwQGQGgAAAADAwEGQCgA AAADBAZAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYAKAAAAAMEEQAgAAAAAQgA KAAAAAMCBkBoAAAAAwMBBkBoAAAAAwMBBgAgAAAABAYAYAAAAAEDBgBgAAAA AQMGAGAAAAACAgYAYAAAAAEDCwABAAECAAIDAAIEAAIFAAUGaAwGB2gMBwho DAgJIAkKAAoLAAsMAAsNCAIIDmgMDg9oDAcQABARABASABATABMUAA8FaAxC AQAAAAYFDw4IBwYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:16Z</structure-indexed-at> </compound>