<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:47:02 UTC</creation_date>
  <update_date>2026-08-23 22:42:17 UTC</update_date>
  <accession/>
  <common_name>1-(3-Methoxypropoxy)propan-1-ol</common_name>
  <class>SmallMolecule</class>
  <description>1-(3-Methoxypropoxy)propan-1-ol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C7H16O3 and an average molecular weight of 148.20 g/mol.

In industrial applications, the compound serves a wide variety of roles and uses. It is utilized as a solvent, surface modifier, cleaning agent, and coalescing agent. Additionally, it functions as a solubility enhancer, a fragrance, a chemical reaction regulator, and a non-aqueous wetting agent. It is also employed as a processing aid not otherwise specified.

The substance is found in or released from 23 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, adjustable resistors, communication cables or conductors, auxiliary devices, and eight other items. Its presence is also noted in food, food processing and cookware, specifically in food contact materials, the preparation of wort, fermentation processes for beer, and the processing of meats. In the realm of household cleaning and consumer products, it is found in soap dispensers, bleaching agents, tobacco pipes, and pipe accessories. Furthermore, it is used in building and construction materials such as fencing and ceilings. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(2-methoxymethylethoxy)propanol</synonym>
    <synonym>Propanol, 1(or 2)-(2-methoxymethylethoxy)-</synonym>
  </synonyms>
  <chemical_formula>C7H16O3</chemical_formula>
  <average_molecular_weight>148.202</average_molecular_weight>
  <monisotopic_moleculate_weight>148.109944375</monisotopic_moleculate_weight>
  <iupac_name>1-[(1-methoxypropan-2-yl)oxy]propan-2-ol</iupac_name>
  <traditional_iupac>1-[(1-methoxypropan-2-yl)oxy]propan-2-ol</traditional_iupac>
  <cas_registry_number>34590-94-8</cas_registry_number>
  <smiles>COCC(C)OCC(C)O</smiles>
  <inchi>InChI=1S/C7H16O3/c1-6(8)4-10-7(2)5-9-3/h6-8H,4-5H2,1-3H3</inchi>
  <inchikey>WGYZMNBUZFHYRX-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Alcohols and polyols</sub_class>
    <direct_parent>Secondary alcohols</direct_parent>
    <alternate_parents>
      <alternative_parent>Dialkyl ethers</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Secondary alcohol</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <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>-0.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.14</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.01</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.45e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>14.85</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-2.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1-[(1-methoxypropan-2-yl)oxy]propan-2-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>148.202</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>148.109944375</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COCC(C)OCC(C)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H16O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H16O3/c1-6(8)4-10-7(2)5-9-3/h6-8H,4-5H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WGYZMNBUZFHYRX-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>38.69</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>39.19</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>16.77</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</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>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7221b3ebc0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>25484</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>23782</chemspider_id>
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</compound>
