<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 09:49:01 UTC</creation_date>
  <update_date>2026-08-22 13:42:19 UTC</update_date>
  <accession/>
  <common_name>Nitric acid, 1-methylethyl ester</common_name>
  <class>SmallMolecule</class>
  <description>Nitric acid, 1-methylethyl ester is an organic compound with the formula C3H7N1O3 and an average molecular weight of 105.09 g/mol. Nitric acid, 1-methylethyl ester belongs to the organic nitrates, a subclass of organic oxoanionic compounds within the organic compounds. This substance is classified as an organic oxygen compound. It has been identified in or released from one recorded source: electrical and electronic equipment, specifically antennas.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(CH3)2CHONO2</synonym>
    <synonym>1701405</synonym>
    <synonym>1712647</synonym>
    <synonym>2-nitrooxy-propane</synonym>
    <synonym>2-PROPANOL NITRATE</synonym>
    <synonym>2-propyl nitrate</synonym>
    <synonym>216-983-6</synonym>
    <synonym>iso-propyl nitrate</synonym>
    <synonym>Isopropyl nitrate</synonym>
    <synonym>Isopropyl nitrate [UN1222]  [Flammable liquid]</synonym>
    <synonym>Isopropylester kyseliny dusicne</synonym>
    <synonym>isopropylnitrate</synonym>
    <synonym>Nitric acid 1-methylethyl ester</synonym>
    <synonym>nitric acid isopropyl ester</synonym>
    <synonym>nitric acid propan-2-yl ester</synonym>
    <synonym>Nitric acid, 1-methylethyl ester</synonym>
    <synonym>Nitric acid, isopropyl ester</synonym>
    <synonym>OR-0426</synonym>
    <synonym>propan-2-yl nitrate</synonym>
    <synonym>UN 1222</synonym>
    <synonym>WLN: WNOY1&amp;1</synonym>
    <synonym>[1712-64-7]</synonym>
  </synonyms>
  <chemical_formula>C3H7N1O3</chemical_formula>
  <average_molecular_weight>105.093</average_molecular_weight>
  <monisotopic_moleculate_weight>105.042593</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1712-64-7</cas_registry_number>
  <smiles>CC(C)O[N+]([O-])=O</smiles>
  <inchi>InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3</inchi>
  <inchikey>GAPFWGOSHOCNBM-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organic oxoanionic compounds</class>
    <sub_class>Organic nitrates</sub_class>
    <direct_parent>Alkyl nitrates</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic nitric acids and derivatives</alternative_parent>
      <alternative_parent>Organic nitro compounds</alternative_parent>
      <alternative_parent>Organic nitrogen compounds</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkyl nitrate</substituent>
      <substituent>Allyl-type 1,3-dipolar organic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic 1,3-dipolar compound</substituent>
      <substituent>Organic nitric acid or derivatives</substituent>
      <substituent>Organic nitro compound</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</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>1.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>105.093</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>105.042593</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)O[N+]([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C3H7N1O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GAPFWGOSHOCNBM-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>15575</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>14818</chemspider_id>
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</compound>
