<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:15:06 UTC</creation_date>
  <update_date>2025-11-19 02:32:33 UTC</update_date>
  <accession>FDB020545</accession>
  <name>Ethyl lactate</name>
  <description>Present in cabbage, peas, vinegar, bread, roasted chicken, butter, blackberry, pineapple, raspberry and various wines and spirits. Flavouring agent

Ethyl lactate, also known as lactic acid ethyl ester, is a monobasic ester formed from lactic acid and ethanol, commonly used as a solvent. This compound is considered biodegradable and can be used as a water-rinsable degreaser. Ethyl lactate is found naturally in small quantities in a wide variety of foods including wine, chicken, and various fruits. The odor of ethyl lactate when dilute is mild, buttery, creamy, with hints of fruit and coconut. Ethyl lactate is found in many foods, some of which are milk and milk products, pineapple, pulses, and tea.</description>
  <synonyms>
    <synonym>(+-)-Ethyl 2-hydroxypropanoate</synonym>
    <synonym>(+-)-Ethyl 2-hydroxypropionate</synonym>
    <synonym>2-Hydroxypropanoic acid ethyl ester</synonym>
    <synonym>Actylol</synonym>
    <synonym>Acytol</synonym>
    <synonym>Ethyl &amp;alpha;-hydroxypropionate</synonym>
    <synonym>Ethyl alpha-hydroxypropionate</synonym>
    <synonym>Ethyl ester of lactic acid</synonym>
    <synonym>Ethyl lactate</synonym>
    <synonym>Eusolvan</synonym>
    <synonym>FEMA 2440</synonym>
    <synonym>Lactic acid, ethyl ester</synonym>
    <synonym>Solactol</synonym>
  </synonyms>
  <chemical_formula>C5H10O3</chemical_formula>
  <average_molecular_weight>118.1311</average_molecular_weight>
  <monisotopic_moleculate_weight>118.062994186</monisotopic_moleculate_weight>
  <iupac_name>ethyl 2-hydroxypropanoate</iupac_name>
  <traditional_iupac>ethyl lactate</traditional_iupac>
  <cas_registry_number>97-64-3</cas_registry_number>
  <smiles>CCOC(=O)C(C)O</smiles>
  <inchi>InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3</inchi>
  <inchikey>LZCLXQDLBQLTDK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).</description>
    <direct_parent>Carboxylic acid esters</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Carboxylic acid derivatives</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Carbonyl compounds</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>
    </alternative_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid ester</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>
    <external_descriptors>
      <external_descriptor>ethyl ester</external_descriptor>
      <external_descriptor>lactate ester</external_descriptor>
      <external_descriptor>secondary alcohol</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.17</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.47</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.52e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.031</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>13</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>ethyl 2-hydroxypropanoate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>118.1311</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>118.062994186</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CCOC(=O)C(C)O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C5H10O3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>LZCLXQDLBQLTDK-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>46.53</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>28.36</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>12.14</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>3</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>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
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      <type>Specdb::CMs</type>
      <spectrum_id>3467</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>29490</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>29728</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>29736</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>46937</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>102190</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>102191</spectrum_id>
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      <type>Specdb::CMs</type>
      <spectrum_id>102192</spectrum_id>
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    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>159397</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>96279</spectrum_id>
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      <type>Specdb::MsMs</type>
      <spectrum_id>96280</spectrum_id>
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      <type>Specdb::MsMs</type>
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      <type>Specdb::MsMs</type>
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      <spectrum_id>160730</spectrum_id>
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      <type>Specdb::MsMs</type>
      <spectrum_id>2769134</spectrum_id>
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      <spectrum_id>2769136</spectrum_id>
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      <type>Specdb::MsMs</type>
      <spectrum_id>2912381</spectrum_id>
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      <type>Specdb::MsMs</type>
      <spectrum_id>2912382</spectrum_id>
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      <type>Specdb::MsMs</type>
      <spectrum_id>2912383</spectrum_id>
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      <type>Specdb::MsIr</type>
      <spectrum_id>9078</spectrum_id>
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      <type>Specdb::MsIr</type>
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      <type>Specdb::MsIr</type>
      <spectrum_id>9080</spectrum_id>
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      <type>Specdb::NmrOneD</type>
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      <type>Specdb::NmrOneD</type>
      <spectrum_id>268802</spectrum_id>
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      <spectrum_id>268803</spectrum_id>
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      <spectrum_id>268804</spectrum_id>
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      <type>Specdb::NmrOneD</type>
      <spectrum_id>268805</spectrum_id>
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      <type>Specdb::NmrOneD</type>
      <spectrum_id>268806</spectrum_id>
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      <spectrum_id>268807</spectrum_id>
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  </spectra>
  <hmdb_id>HMDB40735</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:0x000055ce324da340&gt;</reference>
  </general_references>
  <foods>
    <food>
      <name>Alcoholic beverages</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Black tea</name>
      <food_type>Type 1</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Brassicas</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id>3705</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Fruits</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Green tea</name>
      <food_type>Type 1</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Herbal tea</name>
      <food_type>Type 1</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Milk and milk products</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Pineapple</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Ananas comosus</name_scientific>
      <ncbi_taxonomy_id>4615</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Pulses</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific></name_scientific>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Red tea</name>
      <food_type>Type 1</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Red wine</name>
      <food_type>Type 2</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
      <average_value>85.3</average_value>
      <max_value>85.3</max_value>
      <min_value>85.3</min_value>
      <unit>mg/100 g</unit>
    </food>
    <food>
      <name>Tea</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Camellia sinensis</name_scientific>
      <ncbi_taxonomy_id>4442</ncbi_taxonomy_id>
    </food>
    <food>
      <name>White wine</name>
      <food_type>Type 2</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
      <average_value>104.0</average_value>
      <max_value>104.0</max_value>
      <min_value>104.0</min_value>
      <unit>mg/100 g</unit>
    </food>
  </foods>
  <flavors>
    <flavor>
      <name>butter</name>
    </flavor>
    <flavor>
      <name>butterscotch</name>
    </flavor>
    <flavor>
      <name>buttery</name>
    </flavor>
    <flavor>
      <name>fruit</name>
    </flavor>
    <flavor>
      <name>fruity</name>
    </flavor>
    <flavor>
      <name>sharp</name>
    </flavor>
    <flavor>
      <name>tart</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
    <health_effect>
      <name>Name</name>
      <id>936</id>
      <definition>A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.</definition>
    </health_effect>
  </health_effects>
</compound>
