<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 13:56:48 UTC</creation_date>
  <update_date>2026-05-21 15:11:56 UTC</update_date>
  <accession/>
  <common_name>1,1-Dimethylethyl benzoate</common_name>
  <class>SmallMolecule</class>
  <description>1,1-Dimethylethyl benzoate is an organic compound with the formula C11H14O2 and an average molecular weight of 178.23 g/mol. 1,1-Dimethylethyl benzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds.

This substance is associated with six recorded sources. Within the category of electrical and electronic equipment, it is found in coils, electric switches, discharge lamps, and thin magnetic films. In the context of food, food processing, and cookware, it is released from food contact materials and is involved in fermentation processes for beer. Exposure to this compound may occur through oral, inhalation, or touch routes.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,1-dimethylethyl benzoate</synonym>
    <synonym>2-Methyl-2-propanyl benzoate</synonym>
    <synonym>212-267-2</synonym>
    <synonym>Benzoic acid 1,1-dimethylethyl ester</synonym>
    <synonym>benzoic acid t-butyl ester</synonym>
    <synonym>BENZOIC ACID TERT-BUTYL ESTER</synonym>
    <synonym>BENZOIC ACID TERTBUTYL ESTER</synonym>
    <synonym>Benzoic acid, 1,1-dimethylethyl ester</synonym>
    <synonym>Benzoic acid, tert-butyl ester</synonym>
    <synonym>MFCD00048244</synonym>
    <synonym>tert-Butyl Benzoate</synonym>
    <synonym>tert-ButylBenzoate</synonym>
    <synonym>tert.-Butyl benzoate</synonym>
    <synonym>TERTBUTYL BENZOATE</synonym>
    <synonym>trimethylcarbinol benzoate</synonym>
    <synonym>[774-65-2]</synonym>
  </synonyms>
  <chemical_formula>C11H14O2</chemical_formula>
  <average_molecular_weight>178.231</average_molecular_weight>
  <monisotopic_moleculate_weight>178.09938</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>774-65-2</cas_registry_number>
  <smiles>CC(C)(C)OC(=O)C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3</inchi>
  <inchikey>LYDRKKWPKKEMNZ-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/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>178.231</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>178.09938</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)(C)OC(=O)C1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C11H14O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LYDRKKWPKKEMNZ-UHFFFAOYSA-N</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:0x00007f72218e7598&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>69886</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>63081</chemspider_id>
  <kegg_id/>
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</compound>
