<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 04:30:59 UTC</creation_date>
  <update_date>2026-05-14 18:07:08 UTC</update_date>
  <accession/>
  <common_name>(Z)-Hexadec-9-enoic acid</common_name>
  <class>SmallMolecule</class>
  <description>(Z)-Hexadec-9-enoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the chemical formula C16H30O2 and an average molecular weight of 254.41 g/mol. Industrially, the compound is utilized as a surfactant, acting as a surface active agent.

The compound is identified in 18 recorded sources. Within the category of electrical and electronic equipment, it is found in power cables, line transmission systems, electric hearing aids, antennas, and cores yokes or armatures, among three other sources. It is also associated with food, food processing, and cookware, specifically in food contact materials and the preparation of malt, vinegar, wort, wine, or sparkling wine, as well as two additional sources. In the realm of household cleaning and consumer products, it is recorded in soap dispensers and non electric simulated smoking devices. Additionally, the compound is present in indoor air, categorized under air, dust, and atmospheric transport. Recorded exposure routes for (Z)-Hexadec-9-enoic acid include inhalation, oral intake, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(9Z)-hexadec-9-enoic acid</synonym>
    <synonym>Hexadecenoic acid</synonym>
    <synonym>palmitoleate</synonym>
    <synonym>Palmitoleic acid</synonym>
  </synonyms>
  <chemical_formula>C16H30O2</chemical_formula>
  <average_molecular_weight>254.4082</average_molecular_weight>
  <monisotopic_moleculate_weight>254.224580204</monisotopic_moleculate_weight>
  <iupac_name>(9Z)-hexadec-9-enoic acid</iupac_name>
  <traditional_iupac>palmitoleic acid</traditional_iupac>
  <cas_registry_number>373-49-9</cas_registry_number>
  <smiles>CCCCCC\C=C/CCCCCCCC(O)=O</smiles>
  <inchi>InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-</inchi>
  <inchikey>SECPZKHBENQXJG-FPLPWBNLSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty acids and conjugates</sub_class>
    <direct_parent>Long-chain fatty acids</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</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>
      <alternative_parent>Straight chain fatty acids</alternative_parent>
      <alternative_parent>Unsaturated fatty acids</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Long-chain fatty acid</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Straight chain fatty acid</substituent>
      <substituent>Unsaturated fatty acid</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Monounsaturated fatty acids</descriptor>
      <descriptor>Unsaturated fatty acids</descriptor>
      <descriptor>Unsaturated fatty acids</descriptor>
      <descriptor>hexadec-9-enoic acid</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>5.89</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>6.71</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.76</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.47e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>5.89</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>4.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(9Z)-hexadec-9-enoic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>254.4082</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>254.224580204</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCC\C=C/CCCCCCCC(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H30O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SECPZKHBENQXJG-FPLPWBNLSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>37.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>78.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>32.87</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</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/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bcfc42bd0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB04257</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>445638</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>393216</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
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</compound>
