<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4950</id>
  <title>T3D4895</title>
  <common-name>4-Acetyl-6-tert-butyl-1,1-dimethylindane</common-name>
  <description>4-Acetyl-6-tert-butyl-1,1-dimethylindane is a flavouring ingredient

4-acetyl-6-tert-butyl-1,1-dimethylindane belongs to the family of Acetophenones. These are organic compounds containing the acetophenone structure.</description>
  <cas>13171-00-1</cas>
  <pubchem-id>61585</pubchem-id>
  <chemical-formula>C17H24O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>77.2 - 77.9 °C</melting-point>
  <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></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">2014-09-11T05:21:15Z</created-at>
  <updated-at type="dateTime">2026-03-26T19:37:37Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id></omim-id>
  <chebi-id nil="true"/>
  <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>CC(=O)C1=C2CCC(C)(C)C2=CC(=C1)C(C)(C)C</moldb-smiles>
  <moldb-formula>C17H24O</moldb-formula>
  <moldb-inchi>InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3</moldb-inchi>
  <moldb-inchikey>IKTHMQYJOWTSJO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">244.3719</moldb-average-mass>
  <moldb-mono-mass type="decimal">244.18271539</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB31867</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>55495</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>CHEM003851</chemdb-id>
  <dsstox-id>DTXSID9044536</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethan-1-one</iupac>
</compound>
