<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4965</id>
  <title>T3D4910</title>
  <common-name>Retinol acetate</common-name>
  <description>Retinol acetate is a dietary supplement, permitted in infant formulas

Retinol acetate belongs to the family of Retinoids. These are compounds that is related to vitamin A, especially retinol.</description>
  <cas>127-47-9</cas>
  <pubchem-id>10245972</pubchem-id>
  <chemical-formula>C22H32O2</chemical-formula>
  <weight>328.5</weight>
  <appearance>White powder.</appearance>
  <melting-point>57 - 58 °C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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">2014-09-11T05:21:54Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:17:25Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id></omim-id>
  <chebi-id>32095</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id>C009166</ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id>DB12112</drugbank-id>
  <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)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C</moldb-smiles>
  <moldb-formula>C22H32O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+</moldb-inchi>
  <moldb-inchikey>QGNJRVVDBSJHIZ-AQDFTDIISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">328.4883</moldb-average-mass>
  <moldb-mono-mass type="decimal">328.240230268</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id>HMDB35185</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>8421459</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>CHEM003866</chemdb-id>
  <dsstox-id>DTXSID6021240</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00003926</susdat-id>
  <iupac>(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate</iupac>
  <moldb-polar-surface-area>26.3</moldb-polar-surface-area>
  <moldb-refractivity>107.0749</moldb-refractivity>
  <moldb-polarizability>40.515645291880475</moldb-polarizability>
  <moldb-rotatable-bond-count>7</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>-7.004456796498005</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>6.56</moldb-alogps-logp>
  <moldb-alogps-logs>-5.14</moldb-alogps-logs>
  <moldb-alogps-solubility>2.38e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Retinoids</subklass>
  <paper-count type="integer">587</paper-count>
  <sync-id>CED0010465</sync-id>
  <structure-inchikey>QGNJRVVDBSJHIZ-AQDFTDIISA-N</structure-inchikey>
  <structure-fingerprint>10000010000008000000000000000100000040000000000000000000010000000000000000000000000000000000000000000800800000021000000000000000000000000000000000020000000200000000003000000000000000000000000000100008010020000000000000000000200000040000000000000004008100000480000000000000000010000002000000000000000000000000000200080000001000000040000000800000000000000000000000000000000000800000200000080000000000020000000002000000000000020002200000000000000000000100000000000000000000004000000001c0000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������h��������(�������`�������h��������h��������h��������(�������`�������h��������h��������(�������(�������`�������`�������`�������`������� ������`�������`�����������(��� ���������*�����������$��	*����
	
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:36Z</structure-indexed-at>
</compound>
