IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data
Identification
Product NameHexaethylene glycolIUPAC Name2-ethoxy]ethoxy]ethoxy]ethanolMolecular StructureCAS Registry Number 2615-15-8EINECS Number220-045-1MDL NumberMFCD00002877Beilstein Registry Number1638281SynonymsHEXAETHYLENE GLYCOL2615-15-83,6,9,12,15-Pentaoxaheptadecane-1,17-diolHexagolHexaoxyethylene glycolHO-PEG6-OHPEG-6Hexaethyleneglycol2-ethoxy]ethoxy]ethoxy]ethanolNSC 201209MFCD00002877Ethanol, 2,2'-(oxybis(ethyleneoxyethyleneoxy))di-CHEBI:49793EINECS 220-045-1P6GOH-PEG6-OHBRN 1638281AI3-014572-ethoxy]ethoxy]ethoxy]ethanol; 2,2'-bis Ethanol; Hexagol; Hexaoxyethylene Glycol; NSC 201209C12H26O7HexaHexaethylene glycol, 97%NONOXYNOL-9_met0792,2'-bisethanolSCHEMBL381594-01-00-02406 (Beilstein Handbook Reference)CHEMBL1235082DTXSID2058629WLN: Q2/O2/ 5QAMY19025NSC201209AKOS015839803NSC-201209NCGC00159371-02NCGC00159371-03AS-19157BP-21034BP-21475DA-74106SY024148HY-1412303,9,12,15-Pentaoxaheptadecane-1,17-diolCS-0115001H1432NS00001003Hexaethylene glycol, purum, >=95.0% (GC)EN300-226100Ethanol,2'-di-J-016283Q27104720Ethanol,2'-bis-Ethanol, 2,2'-(oxybis(oxy-2,1-ethanediyloxy-2,1-ethanediyloxy))bis-6529-43-7Molecular FormulaC12H26O7Molecular Weight282.33InChIInChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2InChI KeyIIRDTKBZINWQAW-UHFFFAOYSA-NIsomeric SMILESC(COCCOCCOCCOCCOCCO)O
Patent InformationPatent IDTitlePublication DateCN108440251Photo/nickel synergistic catalysis method for monoarylation of diol2018US2013/209358RADIOTRACER COMPOSITIONS2013WO2008/37604NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF2008US2006/230553Process for tinting, dyeing or doping of moulded components made of transparent (co)polyamides in aqueous dye bath2006US2003/228275DIAZABICYCLOOCTANE DERIVATIVES COMPRISING A QUATERNERY AMMONIUM GROUP FOR USE AS ANTIBACTERIAL AGENTS2003
Physical Data
AppearanceColorless to light yellow clear liquid
Melting Point, °C Pressure (Boiling Point), Torr197 - 2051002161 - 2153 - 1580.07164 - 1680.052171202 - 2060.2180 - 1890.3
Density, g·cm-3Reference Temperature, °CMeasurement Temperature, °C1.12814201.12720201.0948460
Spectra
Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Chemical shifts1Hchloroform-d1Chemical shifts13Cchloroform-d1Chemical shifts1Hchloroform-d1Chemical shifts, Spectrum1Hchloroform-d1Chemical shifts, Spectrum13Cchloroform-d1Chemical shifts, Spectrum1Hchloroform-d125.04Chemical shifts, Spectrum13Cchloroform-d125.04
Description (IR Spectroscopy)Solvent (IR Spectroscopy)ATR-FTIR (attenuated total reflectance Fourier transform infrared spectroscopy), SpectrumBandsneat (no solvent)SpectrumSpectrumneat (no solvent)BandsCCl4Spectrum
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmAbsorption maximamethanol260
Route of Synthesis (ROS)
Route of Synthesis (ROS) of Hexaethylene glycol CAS 2615-15-8
ConditionsYieldWith sodium hydroxide In tetrahydrofuran; water at 0℃; for 5h; Inert atmosphere;Experimental ProcedureGeneral procedure for the preparation of tosylate compounds (11a,b) analogously to the description in literature General procedure: A solution of sodium hydroxide (5.48 g, 137 mmol) in water (30 mL) was added to a solution of PEG compound (904 mmol) in THF (30 mL). The resulting mixture was cooled to 0 °C and a solution of p-toluenesulfonyl chloride (16.6 g, 87.4 mmol) in THF (100 mL) was slowly added under stirring for 2 hours. After stirring at 0 °C for 3 hours, the reaction mixture was poured onto an ice/water mixture (500 mL). The organic layer was separated, and the aqueous layer was extracted with dichloromethane (3 × 200 mL). The combined organic layers were washed twice with water (100 mL), dried with MgSO4 and concentrated in vacuo.97%With potassium iodide; silver(l) oxide at 20℃; for 24h; Inert atmosphere;Experimental Procedure1 Step 1-2-ethoxy]ethoxy]ethoxy]ethyl4-methylbenzene sulfonateTo a solution of 2-ethoxy]ethoxy]ethoxy]ethanol (10.0 g, 35.4 mmol, CAS2615-15-8) in DCM (1.00 L) was added Ag2O (9.85 g, 42.5 mmol), KI (587 mg, 3.54 mmol) and 4-methylbenzenesulfonylchloride (6.75 g, 35.4 mmol). The reaction mixture was stirred under nitrogen atmosphere at rt for 24 h. On completion, the mixture was filtered through a pad of celite and the filtrate was concentrated in vacuo to give a residue. The residue was purified by silica column chromatography (DCM:MeOH=100:1) to give the title compound (15.0 g, 97% yield) as a yellowish oil. 1H NMR (400 MHz, CDCl3) δ 7.73 (d, J=8.4 Hz, 2H), 7.27 (d, J=8.4 Hz, 2H), 4.12-4.06 (m, 2H), 3.68-3.50 (m, 22H), 2.38 (s, 3H).97%With potassium iodide; silver(l) oxide In dichloromethane at 20℃; for 18h;94%
Safety and Hazards
Pictogram(s)SignalWarningGHS Hazard StatementsH319 (23%): Causes serious eye irritation Precautionary Statement CodesP264+P265, P280, P305+P351+P338, and P337+P317(The corresponding statement to each P-code can be found at the GHS Classification page.)
Other Data
TransportationUnder room temperature away from light; keep close and ventilatedHS CodeStorageUnder room temperature away from light; keep close and ventilatedShelf Life1 yearMarket Price
DruglikenessLipinski rules componentMolecular Weight282.334logP-2.158HBA7HBD2Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)86.61Rotatable Bond (RotB)16Matching Veber Rules1
Use PatternHexaethylene glycol CAS: 2615-15-8 has good solubility and can be used as a polar solvent, particularly in coatings, inks, dyes, and certain polymer materials. It effectively dissolves water and various organic compounds. It is used as a lubricant in high-temperature and extreme environments, especially in some metalworking processes, providing both lubrication and cooling.In the pharmaceutical and cosmetic industries, hexaethylene glycol is a component in lotions, creams, and skincare products, providing moisturizing and skin-softening properties.
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