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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:48:48 UTC
Update Date2022-03-07 02:53:17 UTC
HMDB IDHMDB0032263
Secondary Accession Numbers
  • HMDB32263
Metabolite Identification
Common NameEthylene oxide/propylene oxide copolymer
DescriptionEthylene oxide/propylene oxide copolymer, also known as poloxalene or SK and F-18667, belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. Based on a literature review a significant number of articles have been published on Ethylene oxide/propylene oxide copolymer.
Structure
Data?1563862239
Synonyms
ValueSource
Oxypropylene polymer, oxyethyleneMeSH
PoloxaleneMeSH
Polyoxyethylene polyoxypropylene polyoxyethylene polymerMeSH
ProxanolMeSH
SK And F-18667MeSH
TergitolMeSH
Oxyethylene oxypropylene polymerMeSH
Poloxalene 2930MeSH
Polymer, oxyethylene oxypropyleneMeSH
SK And F18667MeSH
TherabloatMeSH
Bloat guardMeSH
SK And F 18667MeSH
Chemical Formula(C3H6O)b(C2H4O)a(C2H4O)aCH4
Average Molecular WeightNot Available
Monoisotopic Molecular WeightNot Available
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number9003-11-6
SMILES
[H]OCCOCC(C)OCCC
InChI Identifier
InChI=1S/C8H18O3/c1-3-5-11-8(2)7-10-6-4-9/h8-9H,3-7H2,1-2H3
InChI KeyCTKXFMQHOOWWEB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentDialkyl ethers
Alternative Parents
Substituents
  • Dialkyl ether
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.62ALOGPS
logS-0.72ALOGPS
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+137.82630932474
DeepCCS[M-H]-134.99230932474
DeepCCS[M-2H]-171.49930932474
DeepCCS[M+Na]+147.03730932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 10V, Positive-QTOFsplash10-03di-2900000000-d31b4043dcdd6638c38b2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 20V, Positive-QTOFsplash10-03dl-9500000000-fd9aba000a2dfcd6315e2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 40V, Positive-QTOFsplash10-0006-9000000000-9b6a3c3c82897f968fe92019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 10V, Negative-QTOFsplash10-03di-1900000000-e7ae3d452ae54054192b2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 20V, Negative-QTOFsplash10-03xr-7900000000-e78d2db301300dc669f82019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 40V, Negative-QTOFsplash10-03di-9100000000-a53d58ba607dce6ae9572019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 10V, Negative-QTOFsplash10-0pb9-9300000000-aef0253d9fc8ca7069302021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 20V, Negative-QTOFsplash10-0a4i-9000000000-2ce26aed69ea47fa12452021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 40V, Negative-QTOFsplash10-0a4l-9000000000-2284337162ab09bcbfd22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 10V, Positive-QTOFsplash10-0006-9200000000-b8ee61899370d3b7ba502021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 20V, Positive-QTOFsplash10-0006-9100000000-053441c41b85aad3ba0b2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 40V, Positive-QTOFsplash10-0006-9000000000-d894474dc2a549c806db2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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
FooDB IDFDB009380
KNApSAcK IDNot Available
Chemspider ID19115379
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound22895896
PDB IDNot Available
ChEBI ID32026
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Guan Y, Huang J, Zuo L, Xu J, Si L, Qiu J, Li G: Effect of pluronic P123 and F127 block copolymer on P-glycoprotein transport and CYP3A metabolism. Arch Pharm Res. 2011 Oct;34(10):1719-28. doi: 10.1007/s12272-011-1016-0. Epub 2011 Nov 12. [PubMed:22076772 ]
  2. Xia XJ, Tao ZH, Ren Y, Wang RY, Liu YL: [Preparation and in vitro study of buagafuran solid dispersions]. Yao Xue Xue Bao. 2008 May;43(5):548-52. [PubMed:18717346 ]
  3. Grau U: Chemical stability of insulin in a delivery system environment. Diabetologia. 1985 Jul;28(7):458-63. [PubMed:3899829 ]
  4. Dumortier G, El Kateb N, Sahli M, Kedjar S, Boulliat A, Chaumeil JC: Development of a thermogelling ophthalmic formulation of cysteine. Drug Dev Ind Pharm. 2006 Jan;32(1):63-72. [PubMed:16455605 ]
  5. Zhang S, Li N, Zheng L, Li X, Gao Y, Yu L: Aggregation behavior of pluronic triblock copolymer in 1-butyl-3-methylimidazolium type ionic liquids. J Phys Chem B. 2008 Aug 21;112(33):10228-33. doi: 10.1021/jp8035132. Epub 2008 Jul 26. [PubMed:18661925 ]
  6. Cunha-Filho MS, Alvarez-Lorenzo C, Martinez-Pacheco R, Landin M: Temperature-sensitive gels for intratumoral delivery of beta-lapachone: effect of cyclodextrins and ethanol. ScientificWorldJournal. 2012;2012:126723. doi: 10.1100/2012/126723. Epub 2012 Apr 24. [PubMed:22629119 ]
  7. Zhang X, Liu C, Yuan Y, Zhang S, Shan X, Sheng Y, Xu F: Key parameters affecting the initial leaky effect of hemoglobin-loaded nanoparticles as blood substitutes. J Mater Sci Mater Med. 2008 Jun;19(6):2463-70. doi: 10.1007/s10856-007-3358-1. Epub 2008 Jan 25. [PubMed:18219559 ]
  8. Qi H, Li L, Huang C, Li W, Wu C: Optimization and physicochemical characterization of thermosensitive poloxamer gel containing puerarin for ophthalmic use. Chem Pharm Bull (Tokyo). 2006 Nov;54(11):1500-7. [PubMed:17077546 ]
  9. Nambam JS, Philip J: Thermogelling properties of triblock copolymers in the presence of hydrophilic Fe3O4 nanoparticles and surfactants. Langmuir. 2012 Aug 21;28(33):12044-53. doi: 10.1021/la302310y. Epub 2012 Aug 9. [PubMed:22845748 ]
  10. El-Houssieny BM, Hamouda HM: Formulation and evaluation of clotrimazole from pluronic F127 gels. Drug Discov Ther. 2010 Feb;4(1):33-43. [PubMed:22491150 ]
  11. Yamaoka T, Takahashi Y, Fujisato T, Lee CW, Tsuji T, Ohta T, Murakami A, Kimura Y: Novel adhesion prevention membrane based on a bioresorbable copoly(ester-ether) comprised of poly-L-lactide and Pluronic: in vitro and in vivo evaluations. J Biomed Mater Res. 2001 Mar 15;54(4):470-9. [PubMed:11426591 ]
  12. Zhao L, Du J, Duan Y, Zang Y, Zhang H, Yang C, Cao F, Zhai G: Curcumin loaded mixed micelles composed of Pluronic P123 and F68: preparation, optimization and in vitro characterization. Colloids Surf B Biointerfaces. 2012 Sep 1;97:101-8. doi: 10.1016/j.colsurfb.2012.04.017. Epub 2012 Apr 24. [PubMed:22609589 ]
  13. (). EAFUS: Everything Added to Food in the United States.. .