<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 01:03:22 UTC</creation_date>
  <update_date>2026-08-17 23:50:11 UTC</update_date>
  <accession/>
  <common_name>3,5-Dimethyl-p-anisic acid</common_name>
  <class>SmallMolecule</class>
  <description>3,5-Dimethyl-p-anisic acid (C10H12O3) is an organic compound with an average molecular weight of 180.20 g/mol. 3,5-Dimethyl-p-anisic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid. This compound has been identified in indoor air, specifically within air, dust, and atmospheric transport. The recorded exposure route for this substance is inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>'21553-46-8</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>244-441-9</synonym>
    <synonym>3,5-DIMETHYL ANISIC ACID</synonym>
    <synonym>3,5-Dimethyl-4-methoxybenzoic acid</synonym>
    <synonym>3,5-Dimethyl-4-Methoxybenzoic Acid (en)</synonym>
    <synonym>3,5-Dimethyl-4-methoxybenzoicacid</synonym>
    <synonym>3,5-dimethyl-p-anisic acid</synonym>
    <synonym>3,5-DIMETHYL-P-ANISICACID</synonym>
    <synonym>4-Carboxy-2,6-dimethylanisole</synonym>
    <synonym>4-Carboxy-2,6-dimethylanisole, 3,5-Dimethyl-p-anisic acid, 5-Carboxy-2-methoxy-m-xylene</synonym>
    <synonym>4-Methoxy-3,5-dimethyl-benzoic acid</synonym>
    <synonym>4-Methoxy-3,5-dimethylbenzoic acid</synonym>
    <synonym>5-Carboxy-2-methoxy-m-xylene</synonym>
    <synonym>Benzoic acid, 4-methoxy-3,5-dimethyl-</synonym>
    <synonym>ST-9191</synonym>
    <synonym>[21553-46-8]</synonym>
  </synonyms>
  <chemical_formula>C10H12O3</chemical_formula>
  <average_molecular_weight>180.203</average_molecular_weight>
  <monisotopic_moleculate_weight>180.078644</monisotopic_moleculate_weight>
  <iupac_name>4-methoxy-3,5-dimethylbenzoic acid</iupac_name>
  <traditional_iupac>4-methoxy-3,5-dimethylbenzoic acid</traditional_iupac>
  <cas_registry_number>21553-46-8</cas_registry_number>
  <smiles>COC1=C(C)C=C(C=C1C)C(O)=O</smiles>
  <inchi>InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)</inchi>
  <inchikey>WXVQURJGDUNJCS-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Benzoic acids and derivatives</sub_class>
    <direct_parent>P-methoxybenzoic acids and derivatives</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl aryl ethers</alternative_parent>
      <alternative_parent>Anisoles</alternative_parent>
      <alternative_parent>Benzoic acids</alternative_parent>
      <alternative_parent>Benzoyl derivatives</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Methoxybenzenes</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Phenoxy compounds</alternative_parent>
      <alternative_parent>m-Xylenes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkyl aryl ether</substituent>
      <substituent>Anisole</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Benzoic acid</substituent>
      <substituent>Benzoyl</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>M-xylene</substituent>
      <substituent>Methoxybenzene</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>P-methoxybenzoic acid or derivatives</substituent>
      <substituent>Phenol ether</substituent>
      <substituent>Phenoxy compound</substituent>
      <substituent>Xylene</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic 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>2.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.18</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.28</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>9.44e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>4.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>4-methoxy-3,5-dimethylbenzoic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>180.203</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>180.078644</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=C(C)C=C(C=C1C)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H12O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WXVQURJGDUNJCS-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>46.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>49.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>19.03</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>88944</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>80256</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
