PENTAETHYLENE GLYCOL CAS#: 4792-15-8; ChemWhat Code: 58836
Identification
| Product Name | PENTAETHYLENE GLYCOL |
| IUPAC Name | 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol |
| Molecular Structure |  |
| CAS Registry Number | 4792-15-8 |
| EINECS Number | 225-341-4 |
| MDL Number | MFCD00002878 |
| Synonyms | Pentaethylene glycol 4792-15-8 3,6,9,12-Tetraoxatetradecane-1,14-diol HO-PEG5-OH 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol PENTAETHYLENEGLYCOL Pentaglycol MFCD00002878 PEG400 113894-92-1 HO[CH2CH2O]5H DTXSID4027579 CHEBI:39631 DTXCID407579 CAS-4792-15-8 C10H22O6 EINECS 225-341-4 OH-PEG5-OH BRN 1635593 3,6,9,12-Tetraoxatetradocane-1,14-diol Amylopectin, phosphate, 2-hydroxypropyl ether NONOXYNOL-9_met066 Pentaethylene glycol, 98% SCHEMBL45272 4-01-00-02405 (Beilstein Handbook Reference) CHEMBL1229766 AMY4487 Tox21_201721 Tox21_303127 AKOS015839786 CS-W007341 DS-4289 HY-W007341 NCGC00164364-01 NCGC00164364-02 NCGC00257199-01 NCGC00259270-01 BP-21065 SY010536 DB-070885 NS00001002 P1154 EN300-258766 S10674 W-106062 Q15656852 2-[2-[2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethoxy]-ethoxy]-ethanol 3,6,9,12-Tetraoxatetradecane-1,14-diol; 1,2-Bis[2-(2-hydroxyethoxy)ethoxy]ethane; 2,4,6,8-Tetraoxadecane-1,10-diol; 3,4,7,8,11,12,15,16-Octaoxaoctadecane-1,18-diol |
| Molecular Formula | C10H22O6 |
| Molecular Weight | 238.28 |
| InChI | InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2 |
| InChI Key | JLFNLZLINWHATN-UHFFFAOYSA-N |
| Isomeric SMILES | C(COCCOCCOCCOCCO)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN108440251 | hoto/nickel synergistic catalysis method for monoarylation of diol | 2018 |
| US2014/31559 | TUNABLE PHENYLACETYLENE HOSTS | 2014 |
| US6458953 | Valency platform molecules comprising carbamate linkages | 2002 |
Physical Data
| Appearance | Colorless to light yellow clear liquid |
| Melting Point, °C |
| -2 – 0 |
| -8.7 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 184 | 2 |
| 175 | 0.6 |
| 175 | 0.08 |
| 155 – 160 | 1 |
| 176 – 179 | 0.4 |
| 178 – 182 | 1.5 |
| 175 – 183 | 0.3 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | 400 |
| Chemical shifts | 1H | CCl4 | |
| Chemical shifts | 13C | neat (no solvent) | |
| Spectrum | 1H |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | potassium bromide |
| Bands | neat (no solvent) |
| Bands | neat (no solvent) |
| Bands | |
| Spectrum | neat (no solvent) |
Route of Synthesis (ROS)
| Conditions | Yield |
| With 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) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
| Precautionary Statement Codes | P261, 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
| Transportation | Under the room temperature and away from light |
| HS Code | |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 238.281 |
| logP | -1.968 |
| HBA | 6 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 77.38 |
| Rotatable Bond (RotB) | 13 |
| Matching Veber Rules | 1 |
| Use Pattern |
| Due 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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Approved Manufacturers | |
| Caming Pharmaceutical Limited | http://www.caming.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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