<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 12:41:00 UTC</creation_date>
  <update_date>2026-08-24 14:40:00 UTC</update_date>
  <accession/>
  <common_name>Diethadione</common_name>
  <class>SmallMolecule</class>
  <description>Diethadione is an organic compound with the chemical formula C8H13N1O3 and an average molecular weight of 171.20 g/mol. Diethadione belongs to the 1,3-oxazinanes, a subclass of oxazinanes within the organic compounds. In broader chemical classifications, it is categorized as an organoheterocyclic compound.

This substance has been identified in or released from 19 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, amplifiers, communication cables or conductors, cores yokes or armatures, and discharge lamps, among 11 other items. Additionally, diethadione is found in household cleaning and consumer products, specifically in soap detergents and tobacco smoke filters. It is also linked to food, food processing, and cookware, where it is associated with the processing of fish.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>211-867-1</synonym>
    <synonym>2H-1,3-Oxazine-2,4 (3H)-dione, 5,5-diethyldihydro-</synonym>
    <synonym>2H-1,3-Oxazine-2,4(3H)-dione, 5,5-diethyldihydro-</synonym>
    <synonym>5, 5-Diethyl-1,3-oxazine-2,4-dione</synonym>
    <synonym>5,5-Diethyl-1,3-oxazin-2,4-dione</synonym>
    <synonym>5,5-Diethyl-1,3-oxazinane-2,4-dione</synonym>
    <synonym>5,5-diethyl-1,3-oxazinane-2,4-quinone</synonym>
    <synonym>5,5-Diethyl-1,3-oxazine-2,4-dione</synonym>
    <synonym>5,5-Diethyl-2,3,5,6-tetrahydro-4H-1,3-oxazine-2,4-dione</synonym>
    <synonym>5,5-Diethyl-[1,3]oxazinane-2,4-dione</synonym>
    <synonym>5,5-Diethyldihydro-2H-1, 3-oxazine-2,4(3H)-dione</synonym>
    <synonym>5,5-Diethyldihydro-2H-1,3-oxazine-2,4(3H)-dione</synonym>
    <synonym>5,5-Diethyltetrahydro-2H-1,3-oxazine-2, 4(3H)-dione</synonym>
    <synonym>5,5-Diethyltetrahydro-2H-1,3-oxazine-2,4(3H)-dione</synonym>
    <synonym>5,5-Dietildiidro-1,3-ossazin-2,4-dione [Italian]</synonym>
    <synonym>702545</synonym>
    <synonym>Dietadiona [INN-Spanish]</synonym>
    <synonym>Dietadione [Italian]</synonym>
    <synonym>Diethadion</synonym>
    <synonym>diethadione</synonym>
    <synonym>Diethadione [BAN:DCF:INN]</synonym>
    <synonym>Diethadionum [INN-Latin]</synonym>
    <synonym>Dietroxin</synonym>
    <synonym>Dietroxine</synonym>
    <synonym>Dihydro-5,5-diethyl-2H-1,3-oxazine-2,4(3H)-dione</synonym>
    <synonym>Diidro-5,5-dietil-2H-1,3-ossazin-2,4(3H)-dione [Italian]</synonym>
    <synonym>Dioxone</synonym>
    <synonym>EINECS 211-867-1</synonym>
    <synonym>Ledosten</synonym>
    <synonym>Persisten</synonym>
    <synonym>TOCE</synonym>
    <synonym>Tocen</synonym>
    <synonym>UNII-Z0SPD4Z01X</synonym>
    <synonym>UNII:Z0SPD4Z01X</synonym>
    <synonym>WLN: T6OVMVTJ E2 E2</synonym>
  </synonyms>
  <chemical_formula>C8H13N1O3</chemical_formula>
  <average_molecular_weight>171.196</average_molecular_weight>
  <monisotopic_moleculate_weight>171.089543</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>702-54-5</cas_registry_number>
  <smiles>CCC1(CC)COC(=O)NC1=O</smiles>
  <inchi>InChI=1S/C8H13NO3/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11)</inchi>
  <inchikey>ORTYMGHCFWKXHO-UHFFFAOYSA-N</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>
    <property>
      <kind>logp</kind>
      <value>1.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>171.196</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>171.089543</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC1(CC)COC(=O)NC1=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H13N1O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H13NO3/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ORTYMGHCFWKXHO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c4ea1e8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB21424</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>12798</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>12271</chemspider_id>
  <kegg_id/>
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