5929 <common-name>BENZYL BUTYL ETHER</common-name> <description>BENZYL BUTYL ETHER (C11H16O) is an organic compound with an average molecular weight of 164.24 g/mol. BENZYL BUTYL ETHER belongs to the benzylethers, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized within the superclass of benzenoids. Regarding its roles and uses, this compound serves as an industrial nutrient and flavouring. It has been recorded as being released from or found in two specific sources: electrical and electronic equipment auxiliary devices, as well as food, food processing and cookware, specifically within fermentation processes for beer.</description> <cas>588-67-0</cas> <pubchem-id>61134</pubchem-id> <chemical-formula>C11H16O</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">2016-05-19T01:55:19Z</created-at> <updated-at type="dateTime">2026-08-18T11:43:57Z</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>CCCCOCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C11H16O</moldb-formula> <moldb-inchi>InChI=1S/C11H16O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3</moldb-inchi> <moldb-inchikey>MAYUYFCAPVDYBQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">164.2441</moldb-average-mass> <moldb-mono-mass type="decimal">164.120115134</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>55081</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>CHEM004824</chemdb-id> <dsstox-id>DTXSID70207529</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021230</susdat-id> <iupac>butoxymethylbenzene</iupac> <moldb-polar-surface-area>9.23</moldb-polar-surface-area> <moldb-refractivity>51.49870000000001</moldb-refractivity> <moldb-polarizability>20.260788830265387</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.154191619033629</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.32</moldb-alogps-logp> <moldb-alogps-logs>-3.72</moldb-alogps-logs> <moldb-alogps-solubility>3.16e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzylethers</subklass> <paper-count type="integer">126</paper-count> <sync-id>CED0002740</sync-id> <structure-inchikey>MAYUYFCAPVDYBQ-UHFFFAOYSA-N</structure-inchikey> 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