<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 09:38:51 UTC</creation_date>
  <update_date>2026-05-21 15:12:29 UTC</update_date>
  <accession/>
  <common_name>2-Butoxy-1-methylethyl acetate</common_name>
  <class>SmallMolecule</class>
  <description>2-Butoxy-1-methylethyl acetate is an organic compound with the formula C9H18O3 and an average molecular weight of 174.24 g/mol. 2-Butoxy-1-methylethyl acetate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

This substance has been identified in or released from four recorded sources. These include food contact materials used in food, food processing, and cookware, as well as electrical and electronic equipment such as electric hearing aids, auxiliary devices, and superconductive or hyperconductive conductors cables or transmission lines. Recorded routes of exposure for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H18O3</chemical_formula>
  <average_molecular_weight>174.24</average_molecular_weight>
  <monisotopic_moleculate_weight>174.1255944</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>85409-76-3</cas_registry_number>
  <smiles>CCCCOCC(C)OC(C)=O</smiles>
  <inchi>InChI=1/C9H18O3/c1-4-5-6-11-7-8(2)12-9(3)10/h8H,4-7H2,1-3H3</inchi>
  <inchikey>FUWDFGKRNIDKAE-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/>
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  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>174.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>174.1255944</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCOCC(C)OC(C)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H18O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C9H18O3/c1-4-5-6-11-7-8(2)12-9(3)10/h8H,4-7H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>FUWDFGKRNIDKAE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227df3e00&gt;</health_effects>
  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>537309</pubchem_compound_id>
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