<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:02:02 UTC</creation_date>
  <update_date>2026-04-16 21:16:40 UTC</update_date>
  <accession/>
  <common_name>Butyllithium</common_name>
  <class>SmallMolecule</class>
  <description>Butyllithium is an organic compound with the chemical formula C4H9Li and an average molecular weight of 64.06 g/mol. Butyllithium belongs to the hydrocarbon derivatives, a superclass within the organic compounds.

The substance has been identified in or released from 10 recorded sources. These sources include drinking water and water supply systems specifically involving drinking water. Within the category of household cleaning and consumer products, it is associated with bleaching agents. In the context of food, food processing, and cookware, it is linked to the processing of meats and fermentation processes for beer. Additionally, it is found in electrical and electronic equipment, including antennas, auxiliary devices, electric hearing aids, power cables, radio transmission systems, and one other source. The recorded exposure route for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Kieselguhr, soda ash flux-calcined</synonym>
  </synonyms>
  <chemical_formula>C4H9Li</chemical_formula>
  <average_molecular_weight>64.06</average_molecular_weight>
  <monisotopic_moleculate_weight>64.08642873</monisotopic_moleculate_weight>
  <iupac_name>butyl lithium</iupac_name>
  <traditional_iupac>monobutyl lithium</traditional_iupac>
  <cas_registry_number>109-72-8</cas_registry_number>
  <smiles>[Li].[CH2]CCC</smiles>
  <inchi>InChI=1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;</inchi>
  <inchikey>MZRVEZGGRBJDDB-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Hydrocarbon derivatives</super_class>
    <class/>
    <sub_class/>
    <direct_parent>Hydrocarbon derivatives</direct_parent>
    <alternate_parents/>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>alkyllithium compound</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>2.81</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.91</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.12e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>butyl lithium</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>64.06</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>64.08642873</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Li].[CH2]CCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H9Li</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MZRVEZGGRBJDDB-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>19.11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>7.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</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:0x00007f3bd00bfdc0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>61028</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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  </targets>
</compound>
