<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 15:22:54 UTC</creation_date>
  <update_date>2026-08-25 12:52:20 UTC</update_date>
  <accession/>
  <common_name>1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester</common_name>
  <class>SmallMolecule</class>
  <description>1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester is an organic compound with the formula C9H14O7 and an average molecular weight of 234.20 g/mol. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

The compound is identified in four recorded sources: power cables within electrical and electronic equipment, cigar cigarettes in household cleaning and consumer products, and food contact materials and fermentation processes for beer under food, food processing and cookware. Exposure to this substance occurs through oral, inhalation, and touch routes.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,2, 3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester</synonym>
    <synonym>1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tri</synonym>
    <synonym>1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester</synonym>
    <synonym>1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-trimethyl ester</synonym>
    <synonym>1,2,3-trimethyl 2-hydroxypropane-1,2,3-tricarboxylate</synonym>
    <synonym>1587208</synonym>
    <synonym>216-449-2</synonym>
    <synonym>3-Hydroxy-3-methoxycarbonylpentanedioic acid, dimethyl ester</synonym>
    <synonym>citric acid trimethyl ester</synonym>
    <synonym>Citric acid, trimethyl ester</synonym>
    <synonym>Citric acid, trimethyl ester (8CI)</synonym>
    <synonym>dimethyl 3-hydroxy-3-(methoxycarbonyl)pentane-1,5-dioate</synonym>
    <synonym>EINECS 216-449-2</synonym>
    <synonym>QA-4754</synonym>
    <synonym>ST5409478</synonym>
    <synonym>Trimethyl 2-hydroxy-1,2,3-propanetricarboxylate</synonym>
    <synonym>trimethyl 2-hydroxypropane-1,2,3-tricarboxylate</synonym>
    <synonym>Trimethyl citrate</synonym>
    <synonym>TRIMETHYLCITRATE</synonym>
    <synonym>UNII-2P8176332L</synonym>
    <synonym>UNII:2P8176332L</synonym>
    <synonym>[1587-20-8]</synonym>
  </synonyms>
  <chemical_formula>C9H14O7</chemical_formula>
  <average_molecular_weight>234.204</average_molecular_weight>
  <monisotopic_moleculate_weight>234.073953</monisotopic_moleculate_weight>
  <iupac_name>1,2,3-trimethyl 2-hydroxypropane-1,2,3-tricarboxylate</iupac_name>
  <traditional_iupac>1,2,3-trimethyl 2-hydroxypropane-1,2,3-tricarboxylate</traditional_iupac>
  <cas_registry_number>1587-20-8</cas_registry_number>
  <smiles>COC(=O)CC(O)(CC(=O)OC)C(=O)OC</smiles>
  <inchi>InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3</inchi>
  <inchikey>HDDLVZWGOPWKFW-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Tricarboxylic acids and derivatives</sub_class>
    <direct_parent>Tricarboxylic acids and derivatives</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Fatty acid methyl esters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Methyl esters</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Fatty acid ester</substituent>
      <substituent>Fatty acid methyl ester</substituent>
      <substituent>Fatty acyl</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Methyl ester</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Tertiary alcohol</substituent>
      <substituent>Tricarboxylic acid or derivatives</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</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.52</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.53</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>6.98e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-0.89</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>11.82</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,2,3-trimethyl 2-hydroxypropane-1,2,3-tricarboxylate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>234.204</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>234.073953</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC(=O)CC(O)(CC(=O)OC)C(=O)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H14O7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>HDDLVZWGOPWKFW-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>99.13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>49.93</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>21.66</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</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/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72673fbae8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>74112</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>66725</chemspider_id>
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  <biocyc_id/>
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  <general_references/>
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</compound>
