<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 04:25:57 UTC</creation_date>
  <update_date>2026-08-22 10:28:56 UTC</update_date>
  <accession/>
  <common_name>Polyoxyethylene (9) lauryl ether</common_name>
  <class>SmallMolecule</class>
  <description>Polyoxyethylene (9) lauryl ether belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 582.81 g/mol, Polyoxyethylene (9) lauryl ether is a heavy molecule. It has the chemical formula C30H62O10 and is classified as an organic oxygen compound.

In industrial applications, this compound serves as a surfactant, a dispersing agent, a humectant, and a non-aqueous wetting agent. It has been identified in ten recorded sources. Within the category of food, food processing and cookware, it is found in food contact materials and in the processing of meats and fish. It is also present in household cleaning and consumer products, including tobacco product cases, other smoking requisites, and non-electric simulated smoking devices. Additionally, it is found in electrical and electronic equipment such as X-ray tubes and antennas, in indoor air, and in healthcare, pharmaceuticals and veterinary products specifically as vasoprotectives. Recorded exposure routes for the substance include oral, intravenous, inhalation, and touch.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C30H62O10</chemical_formula>
  <average_molecular_weight>582.8073</average_molecular_weight>
  <monisotopic_moleculate_weight>582.434298204</monisotopic_moleculate_weight>
  <iupac_name>3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol</iupac_name>
  <traditional_iupac>polidocanol</traditional_iupac>
  <cas_registry_number>3055-99-0</cas_registry_number>
  <smiles>CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO</smiles>
  <inchi>InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3</inchi>
  <inchikey>ONJQDTZCDSESIW-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Ethers</sub_class>
    <direct_parent>Polyethylene glycols</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Polyethylene glycol</substituent>
      <substituent>Primary alcohol</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>hydroxypolyether</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Polidocanol Drug Metabolism</name>
      <smpdb_id>SMP0130736</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Polidocanol Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144144</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.15</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.16</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.03e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.94</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>15.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-2.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>582.8073</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>582.434298204</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C30H62O10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ONJQDTZCDSESIW-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>103.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>158.33</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>74.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>10</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:0x00007f7224156ba0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB06811</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>656641</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>570993</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>
