<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:04:43 UTC</creation_date>
  <update_date>2019-11-26 02:55:26 UTC</update_date>
  <accession>FDB000802</accession>
  <name>Oleyl alcohol</name>
  <description>Occurs in fish oils. Emulsion stabiliser, antifoam agent, detergent and release agent for food applications

Oleyl alcohol, octadecenol, or cis-9-octadecen-1-ol, is a fatty alcohol coming from inedible beef fat. It is also found in fish oil.</description>
  <synonyms>
    <synonym>( Z)-9-Octadecenol</synonym>
    <synonym>(9Z)-9-Octadecen-1-ol</synonym>
    <synonym>(9Z)-Octadec-9-en-1-ol</synonym>
    <synonym>(Z)-9-Octadecen-1-ol</synonym>
    <synonym>(Z)-9-Octadecenol</synonym>
    <synonym>(Z)-Octadec-9-enol</synonym>
    <synonym>9-Octadecen-1-ol</synonym>
    <synonym>9(Z)-Octadecen-1-ol</synonym>
    <synonym>Adol 34</synonym>
    <synonym>Adol 80</synonym>
    <synonym>Adol 85</synonym>
    <synonym>Adol 90</synonym>
    <synonym>Anjecol 90N</synonym>
    <synonym>Anjecol 90nr</synonym>
    <synonym>Atalco o</synonym>
    <synonym>Cachalot O-1</synonym>
    <synonym>Cachalot O-15</synonym>
    <synonym>Cachalot O-3</synonym>
    <synonym>Cachalot O-8</synonym>
    <synonym>cis-9-Octadecen-1-ol</synonym>
    <synonym>cis-9-Octadecenyl alcohol</synonym>
    <synonym>cis-Laquo deltaraquo 9-octadecenol</synonym>
    <synonym>cis-Octadecen-1-ol</synonym>
    <synonym>Conditioner 1</synonym>
    <synonym>Crodacol A.10</synonym>
    <synonym>Crodacol-O</synonym>
    <synonym>Dermaffine</synonym>
    <synonym>Elaidyl alcohol</synonym>
    <synonym>Fancol oa-95</synonym>
    <synonym>Francol OA-95</synonym>
    <synonym>H.D. eutanol</synonym>
    <synonym>HD oleyl alcohol 70/75</synonym>
    <synonym>HD oleyl alcohol 80/85</synonym>
    <synonym>HD oleyl alcohol 90/95</synonym>
    <synonym>HD oleyl alcohol CG</synonym>
    <synonym>HD-echelon 90/95</synonym>
    <synonym>HD-eutanol</synonym>
    <synonym>HD-Ocenol 90/95</synonym>
    <synonym>HD-ocenol k</synonym>
    <synonym>Lancol</synonym>
    <synonym>Lipocol o</synonym>
    <synonym>Loxanol 95</synonym>
    <synonym>Loxanol m</synonym>
    <synonym>Novol</synonym>
    <synonym>Ocenol</synonym>
    <synonym>Oceol</synonym>
    <synonym>Octadec-9-en-1-ol</synonym>
    <synonym>Octadec-9Z-enol</synonym>
    <synonym>Octadecenol</synonym>
    <synonym>Oleic alcohol</synonym>
    <synonym>Oleo alcohol</synonym>
    <synonym>Oleol</synonym>
    <synonym>Oleoyl alcohol</synonym>
    <synonym>Oleyl alcohol</synonym>
    <synonym>Oleyl alcohol (NF)</synonym>
    <synonym>Olive alcohol</synonym>
    <synonym>Satol</synonym>
    <synonym>Sipol o</synonym>
    <synonym>Siponol oc</synonym>
    <synonym>Unjecol 110</synonym>
    <synonym>Unjecol 50</synonym>
    <synonym>Unjecol 70</synonym>
    <synonym>Unjecol 90</synonym>
    <synonym>Witcohol 85</synonym>
    <synonym>Witcohol 90</synonym>
  </synonyms>
  <chemical_formula>C18H36O</chemical_formula>
  <average_molecular_weight>268.4778</average_molecular_weight>
  <monisotopic_moleculate_weight>268.276615774</monisotopic_moleculate_weight>
  <iupac_name>(9E)-octadec-9-en-1-ol</iupac_name>
  <traditional_iupac>(9E)-octadec-9-en-1-ol</traditional_iupac>
  <cas_registry_number>143-28-2</cas_registry_number>
  <smiles>CCCCCCCC\C=C\CCCCCCCCO</smiles>
  <inchi>InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+</inchi>
  <inchikey>ALSTYHKOOCGGFT-MDZDMXLPSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.</description>
    <direct_parent>Long-chain fatty alcohols</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty alcohols</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Long chain fatty alcohol</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Primary alcohol</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state>Liquid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>7.91</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.76</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.71e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>6.5 oC</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>6.67</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>16.84</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>(9E)-octadec-9-en-1-ol</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>268.4778</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>268.276615774</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CCCCCCCC\C=C\CCCCCCCCO</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C18H36O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>ALSTYHKOOCGGFT-MDZDMXLPSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>20.23</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>87.67</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>37.66</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>15</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>1</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>19147</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>41484</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>308551</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>308552</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>308553</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>352765</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>352766</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>352767</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB29632</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce33444268&gt;</reference>
  </general_references>
  <foods>
    <food>
      <name>Fishes</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
  </foods>
  <flavors>
    <flavor>
      <name>animal</name>
    </flavor>
    <flavor>
      <name>fatty</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
