IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data
Identification
Product NamePENTAETHYLENE GLYCOLIUPAC Name2-ethoxy]ethoxy]ethanol Molecular StructureCAS Registry Number 4792-15-8EINECS Number225-341-4MDL NumberMFCD00002878SynonymsPentaethylene glycol4792-15-83,6,9,12-Tetraoxatetradecane-1,14-diolHO-PEG5-OH2-ethoxy]ethoxy]ethanolPENTAETHYLENEGLYCOLPentaglycolMFCD00002878PEG400113894-92-1HO5HDTXSID4027579CHEBI:39631DTXCID407579CAS-4792-15-8C10H22O6EINECS 225-341-4OH-PEG5-OHBRN 16355933,6,9,12-Tetraoxatetradocane-1,14-diolAmylopectin, phosphate, 2-hydroxypropyl etherNONOXYNOL-9_met066Pentaethylene glycol, 98%SCHEMBL452724-01-00-02405 (Beilstein Handbook Reference)CHEMBL1229766AMY4487Tox21_201721Tox21_303127AKOS015839786CS-W007341DS-4289HY-W007341NCGC00164364-01NCGC00164364-02NCGC00257199-01NCGC00259270-01BP-21065SY010536DB-070885NS00001002P1154EN300-258766S10674W-106062Q156568522--ethoxy]-ethoxy]-ethanol3,6,9,12-Tetraoxatetradecane-1,14-diol; 1,2-Bisethane; 2,4,6,8-Tetraoxadecane-1,10-diol; 3,4,7,8,11,12,15,16-Octaoxaoctadecane-1,18-diolMolecular FormulaC10H22O6 Molecular Weight238.28InChIInChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2InChI KeyJLFNLZLINWHATN-UHFFFAOYSA-NIsomeric SMILESC(COCCOCCOCCOCCO)O
Patent InformationPatent IDTitlePublication DateCN108440251hoto/nickel synergistic catalysis method for monoarylation of diol2018US2014/31559TUNABLE PHENYLACETYLENE HOSTS2014US6458953Valency platform molecules comprising carbamate linkages2002
Physical Data
AppearanceColorless to light yellow clear liquid
Melting Point, °C -2 - 0-8.7
Boiling Point, °CPressure (Boiling Point), Torr18421750.61750.08155 - 1601176 - 1790.4178 - 1821.5175 - 1830.3
Spectra
Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hchloroform-d1400Chemical shifts1Hdimethylsulfoxide-d6400Chemical shifts1HCCl4Chemical shifts13Cneat (no solvent)Spectrum1H
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Bandspotassium bromideBandsneat (no solvent)Bandsneat (no solvent)BandsSpectrumneat (no solvent)
Route of Synthesis (ROS)
Route of Synthesis (ROS) of PENTAETHYLENE GLYCOL CAS 4792-15-8
ConditionsYieldWith sodium iodide; silver(l) oxide In dichloromethane at 0 - 20℃; for 0.333333h; Inert atmosphere; Schlenk technique;98%With sodium iodide; silver(l) oxide In dichloromethane at 0 - 20℃; for 0.333333h; Inert atmosphere;94%With potassium iodide; silver(l) oxide In dichloromethane at 0℃; for 0.25h;85%
Safety and Hazards
Pictogram(s)SignalWarningGHS Hazard StatementsH315 (97.3%): Causes skin irritation H319 (100%): Causes serious eye irritation H335 (95.2%): May cause respiratory irritation Precautionary Statement CodesP261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)
Other Data
TransportationUnder the room temperature and away from lightHS CodeStorageUnder the room temperature and away from lightShelf Life1 yearMarket Price
DruglikenessLipinski rules componentMolecular Weight238.281logP-1.968HBA6HBD2Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)77.38Rotatable Bond (RotB)13Matching Veber Rules1
Use PatternDue to its excellent solubility, pentaethylene glycol is widely used as a solvent, particularly in coatings, inks, and cosmetics, as it can dissolve both water and various organic substances.PENTAETHYLENE GLYCOL CAS#: 4792-15-8 used in a synthesis of heterocycles by palladium-catalyzed C-N cross coupling of 3-bromothiophenes with 2-aminopyridines. Also used in a ruthenium-catalyzed alkylation of active methylene compounds with alcohols. Metal chelating ligand for catalysis.PENTAETHYLENE GLYCOL CAS#: 4792-15-8 is used as a lubricant in some industrial applications, especially in metalworking fluids and high-temperature environments.
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