<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 12:44:44 UTC</creation_date>
  <update_date>2026-08-24 23:24:34 UTC</update_date>
  <accession/>
  <common_name>Benzoic acid, 2-formyl-</common_name>
  <class>SmallMolecule</class>
  <description>Benzoic acid, 2-formyl- is an organic compound with the chemical formula C8H6O3 and an average molecular weight of 150.13 g/mol. Benzoic acid, 2-formyl- belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds.

This substance is associated with 13 recorded sources. Within the category of electrical and electronic equipment, it is found in or released from antennas, conductors or conductive bodies characterised by the conductive materials, electrically stimulated smoking devices, electrodes, fixed capacitors and their manufacture, and one additional source. In household cleaning and consumer products, it is linked to bleaching agents, cigar cigarettes, perfumes within detergents and soaps, soap detergents, and tobacco smoke filters. Additionally, it is found in food, food processing and cookware, specifically in food preservation and fermentation processes for beer.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>'119-67-5</synonym>
    <synonym>119-67-</synonym>
    <synonym>1H-imidazole, 2-ethyl-5-methyl-</synonym>
    <synonym>2-carboxybenzaldehyde</synonym>
    <synonym>2-Carboxybenzaldehyde (en)2-Formylbenzoic acid (en)3-Hydroxyphthalide (en)</synonym>
    <synonym>2-Carboxybenzaldehyde2-Formylbenzoic acid3-Hydroxyphthalide</synonym>
    <synonym>2-Formyl-benzoic acid</synonym>
    <synonym>2-Formylbenzoic acid</synonym>
    <synonym>3-Hydroxyphthalide</synonym>
    <synonym>742381</synonym>
    <synonym>Benzoic acid, 2-formyl-</synonym>
    <synonym>Benzoic acid, 2-formyl- (9CI)</synonym>
    <synonym>Benzoic acid, formyl-</synonym>
    <synonym>BR-46701</synonym>
    <synonym>carboxybenzaldehyde</synonym>
    <synonym>DYNFCHNNOHNJFG-UHFFFAOYSA-N</synonym>
    <synonym>formylbenzoic acid</synonym>
    <synonym>o-Carboxybenzaldehyde</synonym>
    <synonym>o-Formylbenzoic acid</synonym>
    <synonym>o-formyl_benzoic_acid</synonym>
    <synonym>o-phthalaldehydic acid</synonym>
    <synonym>Phthalaldehydic acid</synonym>
    <synonym>Phthaldehydic acid</synonym>
    <synonym>TH7015000</synonym>
    <synonym>[119-67-5]</synonym>
  </synonyms>
  <chemical_formula>C8H6O3</chemical_formula>
  <average_molecular_weight>150.133</average_molecular_weight>
  <monisotopic_moleculate_weight>150.031694</monisotopic_moleculate_weight>
  <iupac_name>2-formylbenzoic acid</iupac_name>
  <traditional_iupac>2-carboxybenzaldehyde</traditional_iupac>
  <cas_registry_number>119-67-5</cas_registry_number>
  <smiles>OC(=O)C1=C(C=O)C=CC=C1</smiles>
  <inchi>InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)</inchi>
  <inchikey>DYNFCHNNOHNJFG-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>Benzoic acids</direct_parent>
    <alternate_parents>
      <alternative_parent>Benzaldehydes</alternative_parent>
      <alternative_parent>Benzoyl derivatives</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aldehyde</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Aryl-aldehyde</substituent>
      <substituent>Benzaldehyde</substituent>
      <substituent>Benzoic acid</substituent>
      <substituent>Benzoyl</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>aldehydic acid</descriptor>
      <descriptor>benzaldehydes</descriptor>
    </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>1.19</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.78</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.48e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.34</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>4.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-7.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-formylbenzoic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>150.133</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>150.031694</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(=O)C1=C(C=O)C=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H6O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DYNFCHNNOHNJFG-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>54.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>39.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>14.04</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/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bbfdb56f8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8406</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>8099</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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  </targets>
</compound>
