<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:09:10 UTC</creation_date>
  <update_date>2025-11-18 23:19:51 UTC</update_date>
  <accession>FDB010519</accession>
  <name>2-Biphenylol</name>
  <description>Antifungal agent, preservative. It is used for post-harvest control of storage disease in apples, citrus fruit, stone fruit, tomatoes, cucumber and peppers through the use of impregnated wrapping materials or by direct application in a wax. It is used in food seasonings. Inhibitory to a wider range of moulds than Biphenyl &lt;ht&gt;HMJ12-A&lt;/ht&gt;. The practical way of treatment is to immerse citrus fruit in an alkaline aq. soln. of the parent compound or its Na salt. 2-Biphenylol is found in lemon.</description>
  <synonyms>
    <synonym>(1,1-Biphenyl)-2-ol</synonym>
    <synonym>(1,1'-Biphenyl)-2-ol</synonym>
    <synonym>1-Hydroxy-2-phenylbenzene</synonym>
    <synonym>1,1'-Biphenyl-2-ol</synonym>
    <synonym>2-Fenylfenol</synonym>
    <synonym>2-hydroxy biphenyl</synonym>
    <synonym>2-Hydroxy-1,1'-biphenyl</synonym>
    <synonym>2-Hydroxybiphenyl</synonym>
    <synonym>2-Hydroxydiphenyl</synonym>
    <synonym>2-Phenylphenol</synonym>
    <synonym>2-Phenylphenol, BSI, ISO</synonym>
    <synonym>Biphenylol</synonym>
    <synonym>Dowicide 1</synonym>
    <synonym>E231</synonym>
    <synonym>FEMA 3959</synonym>
    <synonym>HBP</synonym>
    <synonym>Hydroxdiphenyl</synonym>
    <synonym>Hydroxy-2-phenylbenzene</synonym>
    <synonym>Hydroxybiphenyl</synonym>
    <synonym>Manusept</synonym>
    <synonym>Nectryl</synonym>
    <synonym>Nipacide OPP</synonym>
    <synonym>O-biphenylol</synonym>
    <synonym>O-diphenylol</synonym>
    <synonym>O-hydroxybiphenyl</synonym>
    <synonym>O-hydroxydiphenyl</synonym>
    <synonym>O-phenyl phenol</synonym>
    <synonym>O-phenylphenate</synonym>
    <synonym>O-phenylphenol</synonym>
    <synonym>o-Xenol</synonym>
    <synonym>O-xonal</synonym>
    <synonym>OPP?</synonym>
    <synonym>Ortho-phenylphenate</synonym>
    <synonym>Ortho-phenylphenol</synonym>
    <synonym>Orthohydroxydipbenyl</synonym>
    <synonym>Orthohydroxydiphenyl</synonym>
    <synonym>Orthophenyl phenol</synonym>
    <synonym>Orthophenylphenol</synonym>
    <synonym>Orthoxenol</synonym>
    <synonym>Phenylphenol</synonym>
    <synonym>Rotoline</synonym>
    <synonym>Stellisept</synonym>
    <synonym>Torsite</synonym>
  </synonyms>
  <chemical_formula>C12H10O</chemical_formula>
  <average_molecular_weight>170.2072</average_molecular_weight>
  <monisotopic_moleculate_weight>170.073164942</monisotopic_moleculate_weight>
  <iupac_name>[1,1'-biphenyl]-2-ol</iupac_name>
  <traditional_iupac>o-phenylphenol</traditional_iupac>
  <cas_registry_number>90-43-7</cas_registry_number>
  <smiles>OC1=CC=CC=C1C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H</inchi>
  <inchikey>LLEMOWNGBBNAJR-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.</description>
    <direct_parent>Biphenyls and derivatives</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Biphenyls and derivatives</sub_class>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>1-hydroxy-2-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>1-hydroxy-4-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>1-hydroxy-2-unsubstituted benzenoid</substituent>
      <substituent>1-hydroxy-4-unsubstituted benzenoid</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Biphenyl</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Phenol</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>Insect repellents</external_descriptor>
      <external_descriptor>a small molecule</external_descriptor>
      <external_descriptor>hydroxybiphenyls</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.21</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.70</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.37e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 56°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>3.32</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>9.69</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-5.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>[1,1'-biphenyl]-2-ol</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>170.2072</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>170.073164942</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>OC1=CC=CC=C1C1=CC=CC=C1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C12H10O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>LLEMOWNGBBNAJR-UHFFFAOYSA-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>53.18</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>18.75</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>1</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::EiMs</type>
      <spectrum_id>921</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>2692</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>3382</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>5577</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>5578</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>5579</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>24998</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>28252</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>28448</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>29801</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>31832</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>42859</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>101189</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>101190</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
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    <spectrum>
      <type>Specdb::CMs</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>152982</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>75267</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>75268</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>75269</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>134874</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>134875</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>134876</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>449095</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>449096</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>449097</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>449098</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2226628</spectrum_id>
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      <spectrum_id>2228111</spectrum_id>
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    <spectrum>
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      <spectrum_id>2236069</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2237298</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2241403</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2252694</spectrum_id>
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      <spectrum_id>2254742</spectrum_id>
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      <spectrum_id>2256677</spectrum_id>
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      <spectrum_id>2258709</spectrum_id>
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      <spectrum_id>2259883</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2401253</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2401254</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB32582</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>17043</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce3212ad58&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3212aba0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3212a9e8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3212a830&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3212a678&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3212a4c0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3212a308&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3212a150&gt;</reference>
    <reference>#&lt;Reference:0x000055ce32129f98&gt;</reference>
    <reference>#&lt;Reference:0x000055ce32129de0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce32129c28&gt;</reference>
    <reference>#&lt;Reference:0x000055ce32129a70&gt;</reference>
    <reference>#&lt;Reference:0x000055ce321298b8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce32129700&gt;</reference>
    <reference>#&lt;Reference:0x000055ce32129548&gt;</reference>
  </general_references>
  <foods>
    <food>
      <name>Lemon</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Citrus limon</name_scientific>
      <ncbi_taxonomy_id>2708</ncbi_taxonomy_id>
    </food>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
