<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4964</id>
  <title>T3D4909</title>
  <common-name>Benzylideneacetone</common-name>
  <description>Benzylideneacetone is a flavouring ingredient. Benzylideneacetone is present in hydrolysed soy protein

Benzylideneacetone belongs to the family of Phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.</description>
  <cas>122-57-6</cas>
  <pubchem-id>637759</pubchem-id>
  <chemical-formula>C10H10O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>41.5 °C</melting-point>
  <boiling-point>260-262°C</boiling-point>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:21:51Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:59Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/4-Phenyl-3-buten-2-one</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id></omim-id>
  <chebi-id>217301</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H]\C(=C(\[H])C1=CC=CC=C1)C(C)=O</moldb-smiles>
  <moldb-formula>C10H10O</moldb-formula>
  <moldb-inchi>InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+</moldb-inchi>
  <moldb-inchikey>InChIKey=BWHOZHOGCMHOBV-BQYQJAHWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">146.1858</moldb-average-mass>
  <moldb-mono-mass type="decimal">146.073164942</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>2.07</logp>
  <hmdb-id>HMDB31617</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>21106584</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"/>
</compound>
