<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 16:20:23 UTC</creation_date>
  <update_date>2026-04-05 16:20:23 UTC</update_date>
  <accession/>
  <common_name>Tin, dioctylbis(2,4-pentanedionato-κO2,κO4)-</common_name>
  <class>SmallMolecule</class>
  <description>Tin, dioctylbis(2,4-pentanedionato-κO2,κO4)- belongs to the phenol esters, a class of benzenoids within the organic compounds. This compound has the chemical formula C15H21O5S.

The substance has been identified in or released from 19 recorded sources. These sources include aquatic systems and sediments, specifically seawater, freshwater, groundwater, and surface water. It is also found in drinking water and water supply systems, including tap water, bottled water, desalinated water, and drinking water. Within wastewater, sanitation, and biosolids, the compound appears in industrial wastewater, mine wastewater, unspecified wastewater, and wastewater treatment effluent. Additionally, it is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers. Marine, shipping, and aquaculture sources include bilge water and ballast water, while agriculture and land management sources include irrigation water. The compound is also linked to two other sectors. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms/>
  <chemical_formula>C15H21O5S</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>313.1109698</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles/>
  <inchi>InChI=1S/C15H22O5S/c1-11(10-15(2,3)4)9-14(16)20-12-5-7-13(8-6-12)21(17,18)19/h5-8,11H,9-10H2,1-4H3,(H,17,18,19)/p-1</inchi>
  <inchikey>YIMYUGFRPUNGOM-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>313.1109698</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H21O5S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H22O5S/c1-11(10-15(2,3)4)9-14(16)20-12-5-7-13(8-6-12)21(17,18)19/h5-8,11H,9-10H2,1-4H3,(H,17,18,19)/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YIMYUGFRPUNGOM-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227dd1e18&gt;</health_effects>
  <symptoms/>
  <treatment/>
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  <general_references/>
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</compound>
