<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">6564</id>
  <title nil="true"/>
  <common-name>P,ALPHA-DIMETHYLSTYRENE</common-name>
  <description>P,ALPHA-DIMETHYLSTYRENE belongs to the phenylpropenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C10H12 and an average molecular weight of 132.20 g/mol.

Industrially, the compound is utilized as a fragrance as well as a flavouring and nutrient. It has been identified in ten recorded sources across several categories. Within electrical and electronic equipment, it is found in magnets, antennas, auxiliary devices, power cables, communication cables or conductors, and one additional source. In the context of food, food processing and cookware, it is associated with food contact materials, the processing of meats, and the preparation of wine or sparkling wine. Additionally, it is released from household cleaning and consumer products, specifically cigar cigarettes. Recorded exposure routes for P,ALPHA-DIMETHYLSTYRENE include inhalation, oral exposure, and touch.</description>
  <cas>1195-32-0</cas>
  <pubchem-id>62385</pubchem-id>
  <chemical-formula>C10H12</chemical-formula>
  <weight>132.2</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">2016-05-19T02:02:28Z</created-at>
  <updated-at type="dateTime">2026-08-17T23:00:31Z</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>CC(=C)C1=CC=C(C)C=C1</moldb-smiles>
  <moldb-formula>C10H12</moldb-formula>
  <moldb-inchi>InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3</moldb-inchi>
  <moldb-inchikey>MMSLOZQEMPDGPI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">132.2023</moldb-average-mass>
  <moldb-mono-mass type="decimal">132.093900384</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>56173</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>CHEM005459</chemdb-id>
  <dsstox-id>DTXSID7047564</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00012338</susdat-id>
  <iupac>1-methyl-4-prop-1-en-2-ylbenzene</iupac>
  <moldb-polar-surface-area>0.0</moldb-polar-surface-area>
  <moldb-refractivity>45.067499999999995</moldb-refractivity>
  <moldb-polarizability>16.352834196708212</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>0</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.79</moldb-alogps-logp>
  <moldb-alogps-logs>-2.92</moldb-alogps-logs>
  <moldb-alogps-solubility>1.60e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylpropenes</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0034000</sync-id>
  <structure-inchikey>MMSLOZQEMPDGPI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000420000000040000000000000000000000000000000000000000000000000000000000000000000000000000200084000000000000000000000000000000000000000000000000000000000020000000000000000004000002000000200000000000000000100000000000040000000000080000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABBgBgAAAAAQMGACgAAAAD
BAYAaAAAAAMCAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQG
AGAAAAABAwZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAigCAQMgAwRoDAQFaAwF
BmgMBgcABghoDAgJaAwJA2gMQgEAAAAGAwkIBgUEFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:02:24Z</structure-indexed-at>
</compound>
