<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:30:52 UTC</creation_date>
  <update_date>2026-04-14 22:24:07 UTC</update_date>
  <accession/>
  <common_name>WHEY</common_name>
  <class>SmallMolecule</class>
  <description>WHEY is an organic compound with the chemical formula C3H6O3 and an average molecular weight of 90.08 g/mol. WHEY belongs to the alpha hydroxy acids and derivatives, a subclass of hydroxy acids and derivatives within the organic compounds.

In industrial applications, the compound serves a wide variety of roles and uses. It is utilized as a solvent, a dye, and a surface modifier. Additionally, it functions as a thickening agent, a softener and conditioner, and a flavouring and nutrient. It is also categorized as a processing aid not otherwise specified.

WHEY is recorded as being found in or released from five specific sources. Within the building and construction sector, it is associated with ceilings, fencing, floors, and roofs. In the realm of electrical and electronic equipment, it is found in antennas.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-hydroxypropanoic acid</synonym>
    <synonym>DL-Lactic acid</synonym>
  </synonyms>
  <chemical_formula>C3H6O3</chemical_formula>
  <average_molecular_weight>90.0779</average_molecular_weight>
  <monisotopic_moleculate_weight>90.031694058</monisotopic_moleculate_weight>
  <iupac_name>2-hydroxypropanoic acid</iupac_name>
  <traditional_iupac>lactic acid</traditional_iupac>
  <cas_registry_number>92129-90-3</cas_registry_number>
  <smiles>CC(O)C(O)=O</smiles>
  <inchi>InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)</inchi>
  <inchikey>JVTAAEKCZFNVCJ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Hydroxy acids and derivatives</class>
    <sub_class>Alpha hydroxy acids and derivatives</sub_class>
    <direct_parent>Alpha hydroxy acids and derivatives</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>Secondary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alpha-hydroxy acid</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Secondary alcohol</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>2-hydroxy monocarboxylic acid</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>-0.79</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.79</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>5.62e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-0.47</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>3.78</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-hydroxypropanoic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>90.0779</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>90.031694058</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(O)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C3H6O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JVTAAEKCZFNVCJ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>57.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>18.84</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>8.05</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</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/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f2f6c30&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB18685</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>612</pubchem_compound_id>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
