<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">265837</id>
  <title nil="true"/>
  <common-name>1-phenylpropan-2-one</common-name>
  <description>1-phenylpropan-2-one is an organic compound with the formula C9H10O and an average molecular weight of 134.17 g/mol. 1-phenylpropan-2-one belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds.

This compound is found in or released from 17 recorded sources. Within electrical and electronic equipment, it is associated with amplifiers, auxiliary devices, electric switches, discharge lamps, and conductors or conductive bodies characterised by the conductive materials. It is also present in household cleaning and consumer products, specifically including soap detergents, perfumes within detergents and soaps, bleaching agents, and other smoking requisites. Additionally, the compound is linked to food, food processing and cookware, where it is found in food preservation and fermentation processes for beer.</description>
  <cas>103-79-7</cas>
  <pubchem-id>7678</pubchem-id>
  <chemical-formula>C9H10O</chemical-formula>
  <weight>134.17</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">2026-08-25T07:51:13Z</created-at>
  <updated-at type="dateTime">2026-08-25T07:51:13Z</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 nil="true"/>
  <moldb-formula>C9H10O</moldb-formula>
  <moldb-inchi>InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3</moldb-inchi>
  <moldb-inchikey>QCCDLTOVEPVEJK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">134.17</moldb-average-mass>
  <moldb-mono-mass type="decimal">134.0731649</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</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>CHEM261730</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-phenylpropan-2-one</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">41</paper-count>
  <sync-id>CED0024718</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
