<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 02:16:37 UTC</creation_date>
  <update_date>2026-08-25 07:52:36 UTC</update_date>
  <accession/>
  <common_name>Benzoic acid, 3,5-dimethyl-</common_name>
  <class>SmallMolecule</class>
  <description>Benzoic acid, 3,5-dimethyl- is an organic compound with the chemical formula C9H10O2 and an average molecular weight of 150.18 g/mol. Benzoic acid, 3,5-dimethyl- belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further categorized under the superclass of benzenoids.

The compound is found in or released from eight recorded sources. In the category of electrical and electronic equipment, it is associated with electrodes, electrically stimulated smoking devices, and conductors or conductive bodies characterized by the conductive materials. Within household cleaning and consumer products, it is found in soap detergents, non electric simulated smoking devices, and perfumes within detergents and soaps. Additionally, it is identified in building and construction materials, specifically ladders, and is used in food, food processing and cookware for food preservation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>'499-06-9</synonym>
    <synonym>06/09/0499</synonym>
    <synonym>1072182</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>3, 5-Dimethylbenzoic acid</synonym>
    <synonym>3,5-Dimethyl benzoic acid</synonym>
    <synonym>3,5-DiMethyl-Benzoic Acid</synonym>
    <synonym>3,5-Dimethylbenzoic acid</synonym>
    <synonym>3,5-dimethylbenzoic acid (en)</synonym>
    <synonym>3,5-Dimethylbenzoic acid 98%</synonym>
    <synonym>3,5-dimethylbenzoicacid</synonym>
    <synonym>6/9/499</synonym>
    <synonym>9/6/499</synonym>
    <synonym>Benzoic acid, 3,5-dimethyl-</synonym>
    <synonym>Benzoic acid, 3,5-dimethyl- (7CI,8CI,9CI)</synonym>
    <synonym>BR-45888</synonym>
    <synonym>CA-5238</synonym>
    <synonym>CHEBI:64821</synonym>
    <synonym>CHEMBL118239</synonym>
    <synonym>D-5000</synonym>
    <synonym>DG 8734030</synonym>
    <synonym>EINECS 207-876-5</synonym>
    <synonym>InChI=1/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11</synonym>
    <synonym>m-Xylylic acid</synonym>
    <synonym>m-Xylylic acid, Mesitylenic acid, m-Xylene-5-carboxylic Acid</synonym>
    <synonym>m-Xylylic acid, sym-m-Xylylic acid</synonym>
    <synonym>Mesitylenic acid</synonym>
    <synonym>ST5308234</synonym>
    <synonym>sym-m-Xylylic acid</synonym>
    <synonym>sym.-m-Xylylic acid</synonym>
    <synonym>TL806253</synonym>
    <synonym>UMVOQQDNEYOJOK-UHFFFAOYSA-N</synonym>
    <synonym>UNII-ED8AV34N0Y</synonym>
    <synonym>UNII:ED8AV34N0Y</synonym>
    <synonym>[499-06-9]</synonym>
  </synonyms>
  <chemical_formula>C9H10O2</chemical_formula>
  <average_molecular_weight>150.177</average_molecular_weight>
  <monisotopic_moleculate_weight>150.06808</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>499-06-9</cas_registry_number>
  <smiles>CC1=CC(=CC(C)=C1)C(O)=O</smiles>
  <inchi>InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)</inchi>
  <inchikey>UMVOQQDNEYOJOK-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>2.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>150.177</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>150.06808</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=CC(=CC(C)=C1)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H10O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UMVOQQDNEYOJOK-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:0x00007f7226cd5330&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>10356</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>9929</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
    <target>
      <target_id/>
      <mechanism_of_action/>
      <constants/>
      <references/>
    </target>
  </targets>
</compound>
