75474 <common-name>Benzene, 1-(1,1-dimethylethyl)-4-methoxy-</common-name> <description>Benzene, 1-(1,1-dimethylethyl)-4-methoxy- is an organic compound with the chemical formula C11H16O1 and an average molecular weight of 164.25 g/mol. It is utilized industrially as a fragrance. Benzene, 1-(1,1-dimethylethyl)-4-methoxy- belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is further classified within the superclass of benzenoids.</description> <cas>5396-38-3</cas> <pubchem-id>94750</pubchem-id> <chemical-formula>C11H16O1</chemical-formula> <weight>164.24</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">2026-04-04T04:16:13Z</created-at> <updated-at type="dateTime">2026-08-18T11:43:21Z</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(C=C1)C(C)(C)C</moldb-smiles> <moldb-formula>C11H16O1</moldb-formula> <moldb-inchi>InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3</moldb-inchi> <moldb-inchikey>MCUPBIBNSTXCPQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">164.248</moldb-average-mass> <moldb-mono-mass type="decimal">164.120115</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>85489</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>CHEM071367</chemdb-id> <dsstox-id>DTXSID3063833</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00032894</susdat-id> <iupac>1-tert-butyl-4-methoxybenzene</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">12</paper-count> <sync-id>CED0034135</sync-id> <structure-inchikey>MCUPBIBNSTXCPQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000002000000000000000000000000000000000000000000000000000200000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000100000200000000000000040000000000010040000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000001000000000080000000040000000000000000000000000000080000800000000000000000000000000400000000000000000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@h�������@(������@h�������@h�������� ������`�������`�������`����������� ��h���h���h���h���h����� �� ������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:44Z</structure-indexed-at> </compound>