<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:11:51 UTC</creation_date>
  <update_date>2026-04-16 22:15:04 UTC</update_date>
  <accession/>
  <common_name>LAURIC ALDEHYDE</common_name>
  <class>SmallMolecule</class>
  <description>LAURIC ALDEHYDE (C12H24O) is an organic compound with an average molecular weight of 184.32 g/mol. LAURIC ALDEHYDE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In industrial applications, it is utilized as a fragrance, a deodorizer, and as a flavouring and nutrient.

The compound is found in or released from 26 recorded sources. Within the category of electrical and electronic equipment, it is associated with discharge lamps, electric switches, electrically stimulated smoking devices, antennas, conductors or conductive bodies characterised by the conductive materials, and six additional sources. It appears in household cleaning and consumer products, including soap detergents, soap dispensers, bleaching agents, perfumes within detergents and soaps, and cigar cigarettes, among others. Regarding food, food processing and cookware, it is linked to food preservation, food contact materials, the preparation of vinegar, fermentation processes for beer, and the preparation of wine or sparkling wine. Additionally, it is found in floors within building and construction, indoor air in the context of air, dust and atmospheric transport, and in drinking water and water supply. Recorded exposure routes for the compound include inhalation, oral, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>D-Decylaldehyde</synonym>
    <synonym>Dodecanal</synonym>
    <synonym>dodecanal</synonym>
  </synonyms>
  <chemical_formula>C12H24O</chemical_formula>
  <average_molecular_weight>184.3184</average_molecular_weight>
  <monisotopic_moleculate_weight>184.18271539</monisotopic_moleculate_weight>
  <iupac_name>dodecanal</iupac_name>
  <traditional_iupac>dodecanal</traditional_iupac>
  <cas_registry_number>112-54-9</cas_registry_number>
  <smiles>CCCCCCCCCCCC=O</smiles>
  <inchi>InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3</inchi>
  <inchikey>HFJRKMMYBMWEAD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Carbonyl compounds</sub_class>
    <direct_parent>Medium-chain aldehydes</direct_parent>
    <alternate_parents>
      <alternative_parent>Alpha-hydrogen aldehydes</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alpha-hydrogen aldehyde</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Medium-chain aldehyde</substituent>
      <substituent>Organic oxide</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>2,3-saturated fatty aldehyde</descriptor>
      <descriptor>Fatty aldehydes</descriptor>
      <descriptor>Fatty aldehydes</descriptor>
      <descriptor>a fatty aldehyde</descriptor>
      <descriptor>long-chain fatty aldehyde</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.46</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.31</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>9.02e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>4.32</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>17.79</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-6.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>dodecanal</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>184.3184</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>184.18271539</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCC=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H24O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>HFJRKMMYBMWEAD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>17.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>57.75</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>24.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</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:0x00007f3bafc64d90&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8194</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7902</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
