2-[2-[2-[2-[2-(BENZYLOXY)ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHANOL CAS#: 57671-28-0; ChemWhat Code: 886583

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name2-[2-[2-[2-[2-(BENZYLOXY)ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHANOL
IUPAC Name2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Molecular StructureStructure of Bn-P5-alcohol CAS 57671-28-0
CAS Registry Number 57671-28-0
EINECS NumberNo data available
MDL NumberMFCD06797154
Beilstein Registry NumberNo data available
Synonyms2-(2-{2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy}ethoxy)ethanol1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-olpenta(ethylene glycol) monobenzyl etherpentaethyleneglycol monobenzyletherpentaethylene glycol monobenzyl ether
Molecular FormulaC17H28O6
Molecular Weight328.401
InChIInChI=1S/C17H28O6/c18-6-7-19-8-9-20-10-11-21-12-13-22-14-15-23-16-17-4-2-1-3-5-17/h1-5,18H,6-16H2
InChI KeyUMUSOTNGYAALST-UHFFFAOYSA-N
Canonical SMILESOCCOCCOCCOCCOCCOCc1ccccc1
Patent Information
No data available

Physical Data

AppearanceTransparent to light-yellow oily liquid
SolubilityNo data available
Flash PointNo data available
Refractive index1.4950 to 1.4990
Sensitivity No data available
Refractive IndexWavelength (Refractive Index), nmTemperature (Refractive Index), °C
1.49958920
1.49958921

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hchloroform-d1400
Chemical shifts13Cchloroform-d1101
Chemical shifts1HCDCl3400
Chemical shifts1HCCl4
2-[2-[2-[2-[2-(BENZYLOXY)ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHANOL CAS#: 57671-28-0 NMRHNMR of Bn-P5-alcohol CAS 57671-28-0
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Comment (IR Spectroscopy)
Bandsneat (no solvent)3600 – 1090 cm**(-1)
Description (Mass Spectrometry)
liquid chromatography mass spectrometry (LCMS), electrospray ionisation (ESI), spectrum

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 2-[2-[2-[2-[2-(BENZYLOXY)ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHANOL CAS 57671-28-0
Route of Synthesis (ROS) of 2-[2-[2-[2-[2-(BENZYLOXY)ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHANOL CAS 57671-28-0
ConditionsYield
With pyridine In dichloromethane at 20℃; for 20h;86%
With dmap; triethylamine In dichloromethane at 20℃;84%
With triethylamine In dichloromethane at 20℃; for 16h;79%

Safety and Hazards

GHS Hazard StatementsNot Classified
For more detailed information, please visit ECHA C&L website
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationUnder the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight328.406
logP0.261
HBA6
HBD1
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)66.38
Rotatable Bond (RotB)16
Matching Veber Rules1
Bioactivity
In vitro: Efficacy
Quantitative Results
Use Pattern
2-[2-[2-[2-[2-(BENZYLOXY)ETHOXY]ETHOXY]ETHOXY]ETHOXY]ETHANOL CAS#: 57671-28-0 is a polyethylene glycol (PEG) linker to facilitate antibody-drug conjugate (ADC) development projects.

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