<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:08:58 UTC</creation_date>
  <update_date>2018-05-28 23:26:55 UTC</update_date>
  <accession>FDB010109</accession>
  <name>Polyoxyethylene 40 monostearate</name>
  <description>It is used as a food additive .</description>
  <synonyms>
    <synonym>17-Hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl octadecanoate</synonym>
    <synonym>2-Hydroxyethyl octadecanoate</synonym>
    <synonym>2-hydroxyethyl stearate</synonym>
    <synonym>Akyporox S 100</synonym>
    <synonym>Arosurf 1855E40</synonym>
    <synonym>Cerasynt 660</synonym>
    <synonym>Cerasynt m</synonym>
    <synonym>Cerasynt MN</synonym>
    <synonym>Cithrol 10MS</synonym>
    <synonym>Cithrol PS</synonym>
    <synonym>Clearate g</synonym>
    <synonym>Clindrol seg</synonym>
    <synonym>Cremophor a</synonym>
    <synonym>EM</synonym>
    <synonym>Emanon 3113</synonym>
    <synonym>Emanon 3199</synonym>
    <synonym>Emcol H 35-A</synonym>
    <synonym>Emerest 2350</synonym>
    <synonym>Emerest 2640</synonym>
    <synonym>Empilan 2848</synonym>
    <synonym>Empilan CP-100</synonym>
    <synonym>Empilan CQ-100</synonym>
    <synonym>Emulphor VT-650</synonym>
    <synonym>Emunon 3115</synonym>
    <synonym>Ethofat 60/15</synonym>
    <synonym>Ethofat 60/20</synonym>
    <synonym>Ethofat 60/25</synonym>
    <synonym>Ethoxylated stearic acid</synonym>
    <synonym>Ethylene glycol monostearate</synonym>
    <synonym>Ethylene glycol monostearate se</synonym>
    <synonym>Ethylene glycol stearate</synonym>
    <synonym>Ethylene glycol, monostearate</synonym>
    <synonym>Glycol monostearate</synonym>
    <synonym>Glycol monostearate se</synonym>
    <synonym>Glycol polyethylene monostearate #200</synonym>
    <synonym>Glycol stearate</synonym>
    <synonym>Glycol stearate se</synonym>
    <synonym>Glycol, polyethylene monostearate #200</synonym>
    <synonym>Glycol, polyethylene monostearate #6000</synonym>
    <synonym>Glycols, polyethylene, monostearate</synonym>
    <synonym>Ionet MS-1000</synonym>
    <synonym>Ivorit</synonym>
    <synonym>Kessco X-211</synonym>
    <synonym>Lactine</synonym>
    <synonym>Lamacit ca</synonym>
    <synonym>Lipal 15S</synonym>
    <synonym>Lipal 400-S</synonym>
    <synonym>Lipo egms</synonym>
    <synonym>Lipo-Peg 4-S</synonym>
    <synonym>Macrogol ester</synonym>
    <synonym>Macrogol ester (inn)</synonym>
    <synonym>Macrogol stearate 2000</synonym>
    <synonym>Magi 45</synonym>
    <synonym>Monthybase</synonym>
    <synonym>Monthyle</synonym>
    <synonym>MYRJ</synonym>
    <synonym>Myrj 45</synonym>
    <synonym>Myrj 49</synonym>
    <synonym>Myrj 51</synonym>
    <synonym>Myrj 52</synonym>
    <synonym>Myrj 52 (TN)</synonym>
    <synonym>Myrj 52S</synonym>
    <synonym>Myrj 53</synonym>
    <synonym>Myrj 59</synonym>
    <synonym>Nikkol MYS</synonym>
    <synonym>Nikkol MYS 4</synonym>
    <synonym>Nikkol MYS 40</synonym>
    <synonym>Nikkol MYS 45</synonym>
    <synonym>Nikkol MYS-25</synonym>
    <synonym>Nissan Nonion S 15</synonym>
    <synonym>Nissan Nonion S-2</synonym>
    <synonym>Nonex 28</synonym>
    <synonym>Nonex 29</synonym>
    <synonym>Nonex 36</synonym>
    <synonym>Nonex 53</synonym>
    <synonym>Nonex 54</synonym>
    <synonym>Nonex 63</synonym>
    <synonym>Nonion S 15</synonym>
    <synonym>Nonion S 2</synonym>
    <synonym>Nonion S 4</synonym>
    <synonym>Octadecanoic acid, 2-hydroxyethyl ester</synonym>
    <synonym>Parastarin</synonym>
    <synonym>PEG 100MS</synonym>
    <synonym>PEG 600MS</synonym>
    <synonym>Peg stearate</synonym>
    <synonym>PEG-10 Stearate</synonym>
    <synonym>PEG-150 stearate</synonym>
    <synonym>PEG-40 stearate</synonym>
    <synonym>PEG-8 stearate</synonym>
    <synonym>Pegosperse S 9</synonym>
    <synonym>Perphinol 45/100</synonym>
    <synonym>PMS No. 1</synonym>
    <synonym>PMS No. 2</synonym>
    <synonym>Poly(oxyethylene) monostearate</synonym>
    <synonym>Poly(oxyethylene) stearate</synonym>
    <synonym>Poly(oxyethylene) stearic acid ester</synonym>
    <synonym>Polyethylene glycol (100) monostearate</synonym>
    <synonym>Polyethylene glycol 8 monostearate</synonym>
    <synonym>Polyethylene glycol monostearate</synonym>
    <synonym>Polyethylene glycol monostearate #1000</synonym>
    <synonym>Polyethylene glycol monostearate #200</synonym>
    <synonym>Polyethylene glycol monostearate #40</synonym>
    <synonym>Polyethylene glycol monostearate #400</synonym>
    <synonym>Polyethylene glycol monostearate #6000</synonym>
    <synonym>Polyethylene glycol stearate</synonym>
    <synonym>Polyethylene oxide monostearate</synonym>
    <synonym>Polyethylene oxide stearate</synonym>
    <synonym>Polyethyleneglycols monostearate</synonym>
    <synonym>Polyethyleneglycols monstearate</synonym>
    <synonym>Polyoxyethylate (9) stearic acid</synonym>
    <synonym>Polyoxyethylene (8) stearate</synonym>
    <synonym>Polyoxyethylene 40 stearate</synonym>
    <synonym>Polyoxyethylene 50 stearate</synonym>
    <synonym>Polyoxyethylene monostearate</synonym>
    <synonym>Polyoxyethylene stearate (mol. wt. 600-2000)</synonym>
    <synonym>Polyoxyethylene-(40)-monostearate</synonym>
    <synonym>Polyoxyethylene-8-monostearate</synonym>
    <synonym>Polyoxyethylene(8)stearate</synonym>
    <synonym>Polyoxyl 40 stearate</synonym>
    <synonym>Polyoxyl 40 stearate (JP15/NF)</synonym>
    <synonym>Polyoxyl 40 stearate [USAN:BAN:JAN]</synonym>
    <synonym>Polyoxyl 50 stearate</synonym>
    <synonym>Polyoxyl 50 stearic acid</synonym>
    <synonym>Polyoxyl 8 stearate</synonym>
    <synonym>Polyoxyl 8 stearate (USAN)</synonym>
    <synonym>Polyoxyl 8 stearate [USAN:BAN]</synonym>
    <synonym>Polyoxyl 8 stearic acid</synonym>
    <synonym>Polystate</synonym>
    <synonym>Polystate b</synonym>
    <synonym>Prodhybas n</synonym>
    <synonym>Prodhybase 4000</synonym>
    <synonym>Prodhybase ethyl</synonym>
    <synonym>Prodhybase p</synonym>
    <synonym>Sedetol</synonym>
    <synonym>Slovasol MKS 16</synonym>
    <synonym>Soromin-SG</synonym>
    <synonym>Stabilisant delta-118</synonym>
    <synonym>Stearic acid, 2-hydroxyethyl ester</synonym>
    <synonym>Stearic acid, monoester with ethylene glycol</synonym>
    <synonym>Stearic acid, monoester with polyethylene glycol</synonym>
    <synonym>Stearoks 6</synonym>
    <synonym>Stearoks 920</synonym>
    <synonym>Stearox 6</synonym>
    <synonym>Stearox 920</synonym>
    <synonym>Stearoxa-6</synonym>
    <synonym>Stenol 8</synonym>
    <synonym>Tegin g</synonym>
    <synonym>Tego-stearate</synonym>
    <synonym>Trydet SA 40</synonym>
    <synonym>Trydet sa series</synonym>
  </synonyms>
  <chemical_formula>C20H40O3</chemical_formula>
  <average_molecular_weight>328.5298</average_molecular_weight>
  <monisotopic_moleculate_weight>328.297745146</monisotopic_moleculate_weight>
  <iupac_name>2-hydroxyethyl octadecanoate</iupac_name>
  <traditional_iupac>glycol stearate</traditional_iupac>
  <cas_registry_number>9004-99-3</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCCCC(=O)OCCO</smiles>
  <inchi>InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3</inchi>
  <inchikey>RFVNOJDQRGSOEL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.</description>
    <direct_parent>Fatty acid esters</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty acid esters</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid esters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Fatty 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>Primary alcohol</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>7.86</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.10</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.59e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>6.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>15.1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-2.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>2-hydroxyethyl octadecanoate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>328.5298</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>328.297745146</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CCCCCCCCCCCCCCCCCC(=O)OCCO</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C20H40O3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>RFVNOJDQRGSOEL-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>97.35</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>43.82</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>19</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>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>11259</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>42835</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>136293</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>144027</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91932</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91933</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>91934</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>155427</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>155428</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>155429</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2330928</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2330929</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2330930</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2631230</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2631231</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2631232</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB32477</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:0x000055ce3229e400&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3229e158&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
