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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:50:00 UTC
Update Date2019-07-23 06:11:08 UTC
HMDB IDHMDB0032477
Secondary Accession Numbers
  • HMDB32477
Metabolite Identification
Common NamePolyoxyethylene 40 monostearate
DescriptionPolyoxyethylene 40 monostearate, also known as ethylene glycol monostearate or myrj 52, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Polyoxyethylene 40 monostearate is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563862268
Synonyms
ValueSource
Macrogol esterKegg
Polyoxyl 40 stearateKegg
Polyoxyl 50 stearateKegg
Myrj 52Kegg
Polyoxyl 40 stearic acidGenerator
Polyoxyl 50 stearic acidGenerator
Polyoxyethylene 40 monostearic acidGenerator
Polyoxyl 8 stearateHMDB
Polyoxyl 8 stearic acidHMDB
17-Hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl octadecanoateHMDB
2-Hydroxyethyl octadecanoateHMDB
2-Hydroxyethyl stearateHMDB
Akyporox S 100HMDB
Arosurf 1855E40HMDB
Cerasynt 660HMDB
Cerasynt mHMDB
Cerasynt MNHMDB
Cithrol 10MSHMDB
Cithrol PSHMDB
Clearate gHMDB
Clindrol segHMDB
Cremophor aHMDB
EMHMDB
Emanon 3113HMDB
Emanon 3199HMDB
Emcol H 35-aHMDB
Emerest 2350HMDB
Emerest 2640HMDB
Empilan 2848HMDB
Empilan CP-100HMDB
Empilan CQ-100HMDB
Emulphor VT-650HMDB
Emunon 3115HMDB
Ethofat 60/15HMDB
Ethofat 60/20HMDB
Ethofat 60/25HMDB
Ethoxylated stearic acidHMDB
Ethylene glycol monostearateHMDB
Ethylene glycol monostearate seHMDB
Ethylene glycol stearateHMDB
Ethylene glycol, monostearateHMDB
Glycol monostearateHMDB
Glycol monostearate seHMDB
Glycol polyethylene monostearate #200HMDB
Glycol stearateHMDB
Glycol stearate seHMDB
Glycol, polyethylene monostearate #200HMDB
Glycol, polyethylene monostearate #6000HMDB
Glycols, polyethylene, monostearateHMDB
Ionet MS-1000HMDB
IvoritHMDB
Kessco X-211HMDB
LactineHMDB
Lamacit caHMDB
Lipal 15SHMDB
Lipal 400-SHMDB
Lipo egmsHMDB
Lipo-peg 4-SHMDB
Macrogol stearate 2000HMDB
Magi 45HMDB
MonthybaseHMDB
MonthyleHMDB
MYRJHMDB
Myrj 45HMDB
Myrj 49HMDB
Myrj 51HMDB
Myrj 52SHMDB
Myrj 53HMDB
Myrj 59HMDB
Nikkol mysHMDB
Nikkol mys 4HMDB
Nikkol mys 40HMDB
Nikkol mys 45HMDB
Nikkol mys-25HMDB
Nissan nonion S 15HMDB
Nissan nonion S-2HMDB
Nonex 28HMDB
Nonex 29HMDB
Nonex 36HMDB
Nonex 53HMDB
Nonex 54HMDB
Nonex 63HMDB
Nonion S 15HMDB
Nonion S 2HMDB
Nonion S 4HMDB
Octadecanoic acid, 2-hydroxyethyl esterHMDB
ParastarinHMDB
PEG 100MSHMDB
PEG 600MSHMDB
Peg stearateHMDB
PEG-10 stearateHMDB
PEG-150 stearateHMDB
PEG-40 stearateHMDB
PEG-8 stearateHMDB
Pegosperse S 9HMDB
Perphinol 45/100HMDB
PMS No. 1HMDB
PMS No. 2HMDB
Poly(oxyethylene) monostearateHMDB
Poly(oxyethylene) stearateHMDB
Poly(oxyethylene) stearic acid esterHMDB
Polyethylene glycol (100) monostearateHMDB
Polyethylene glycol 8 monostearateHMDB
Polyethylene glycol monostearateHMDB
Polyethylene glycol monostearate #1000HMDB
Polyethylene glycol monostearate #200HMDB
Polyethylene glycol monostearate #40HMDB
Polyethylene glycol monostearate #400HMDB
Polyethylene glycol monostearate #6000HMDB
Polyethylene glycol stearateHMDB
Polyethylene oxide monostearateHMDB
Polyethylene oxide stearateHMDB
Polyethyleneglycols monostearateHMDB
Polyethyleneglycols monstearateHMDB
Polyoxyethylate (9) stearic acidHMDB
Polyoxyethylene (8) stearateHMDB
Polyoxyethylene 40 stearateHMDB
Polyoxyethylene 50 stearateHMDB
Polyoxyethylene monostearateHMDB
Polyoxyethylene stearate (mol. wt. 600-2000)HMDB
Polyoxyethylene(8)stearateHMDB
Polyoxyethylene-(40)-monostearateHMDB
Polyoxyethylene-8-monostearateHMDB
Polyoxyl 40 stearate (JP15/nf)HMDB
PolystateHMDB
Polystate bHMDB
Prodhybas NHMDB
Prodhybase 4000HMDB
Prodhybase ethylHMDB
Prodhybase pHMDB
SedetolHMDB
Slovasol MKS 16HMDB
Soromin-SGHMDB
Stabilisant delta-118HMDB
Stearic acid, 2-hydroxyethyl esterHMDB
Stearic acid, monoester with ethylene glycolHMDB
Stearic acid, monoester with polyethylene glycolHMDB
Stearoks 6HMDB
Stearoks 920HMDB
Stearox 6HMDB
Stearox 920HMDB
Stearoxa-6HMDB
Stenol 8HMDB
Tegin gHMDB
Tego-stearateHMDB
Trydet sa 40HMDB
Trydet sa seriesHMDB
PEG-stearateMeSH
Cremophor S9MeSH
Stearox-6MeSH
Macrogolstearate 400MeSH
Polyethyleneglycol stearateMeSH
Chemical FormulaC20H40O3
Average Molecular Weight328.5298
Monoisotopic Molecular Weight328.297745146
IUPAC Name2-hydroxyethyl octadecanoate
Traditional Nameglycol stearate
CAS Registry Number9004-99-3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCO
InChI Identifier
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 KeyRFVNOJDQRGSOEL-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentFatty acid esters
Alternative Parents
Substituents
  • Fatty acid ester
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.00026 g/LALOGPS
logP7.86ALOGPS
logP6.6ChemAxon
logS-6.1ALOGPS
pKa (Strongest Acidic)15.1ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area46.53 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity97.35 m³·mol⁻¹ChemAxon
Polarizability43.82 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9370000000-465a08ed567896cf05dfSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-01bi-9770000000-e35f36ac66b634e1b73fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004j-7169000000-d7ab09b2b927d99b0dd8Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9351000000-0ded617d53ba1edc45dcSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0005-9640000000-6b77c033e497ff5d9658Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00pi-2094000000-8b7c29b69a8cefe78cf6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014l-5092000000-63dc1c7022e458b7a12aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9150000000-3a52a285167a7215b154Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB010109
KNApSAcK IDNot Available
Chemspider ID23148
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound24762
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Shen Y, Powell RL, Longo ML: Interfacial and stability study of microbubbles coated with a monostearin/monopalmitin-rich food emulsifier and PEG40 stearate. J Colloid Interface Sci. 2008 May 1;321(1):186-94. doi: 10.1016/j.jcis.2008.01.044. Epub 2008 Feb 2. [PubMed:18313684 ]
  2. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  3. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  4. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  5. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  6. (). EAFUS: Everything Added to Food in the United States.. .
  7. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.