Undecaethylene glycol

HCID 81260

Notes Reactions

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Basic information

CAS: 6809-70-7
Standard SMILES: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIKey: PSVXZQVXSXSQRO-UHFFFAOYSA-N
Molecular formula: C22H46O12
Average molar mass: 502.6 g/mol
Monoisotopic mass: 502.29892691

Overview

Undecaethylene glycol is a poly(ethylene glycol).

Names & identifiers

Preferred name: Undecaethylene glycol
IUPAC: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
English name: 3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol
Molecular formula: C22H46O12
Molecular weight: 502.59

Names & synonyms

Undecaethylene glycol3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanolEINECS 229-884-8CHEBI:46801DTXSID702182912-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanolRefChem:193063DTXCID90140782PSVXZQVXSXSQRO-UHFFFAOYSA-N6809-70-7HO-PEG11-OH

Show more names

PEG11-OHAlcohol-PEG11-AlcoholHO-PEG11-OH/Undecaethylene glycol3,6,9,12,15,18,21,24,27,30-decaoxytridodecane-1,32-diol3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-dio

PEG12MFCD26793839CS-0107381S10731Q27120707C22H46O12OH-PEG11-OHAMY4480

Database identifiers

CAS: 6809-70-7
PubChem CID: 81260
DTXSID: DTXSID70218291
ChEBI: CHEBI:46801
EC Number: 229-884-8
Nikkaji: J97.002F

Properties

Computed structural properties

XLogP: -2.6
Topological polar surface area: 133 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 12
Rotatable bonds: 31
Heavy atoms: 34
Formal charge: 0
Complexity: 320

Experimental & physicochemical properties

SurfactantsSurfactant

Physicochemical properties

Boiling point: 571.4 · 571.4±45.0 °C(Predicted)
Density: 1.116 · 1.116±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.06 · 14.06±0.10(Predicted)
form: Liquid
color: Colorless to light yellow
InChI: InChI=1S/C22H46O12/c23-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-26-4-2-24/h23-24H,1-22H2
InChIKey: PSVXZQVXSXSQRO-UHFFFAOYSA-N
SMILES: C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
EPA Substance Registry System: Undecaethylene glycol (6809-70-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Hazard information

EPA Safer ChemicalChemical: Undecaethylene glycol

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Applications · 2 items

DescriptionPEG12 is a PEG chain consisting of 12 ethylene glycol subunits and two terminal hydroxyl groups. The hydroxyl groups can participate in reactions to further derivatize the compound. The hydrophilic PEG chain increases the water solubility of the compound in aqueous media. The water solubility properties of the PEG linker are enhanced with longer PEG chains.

UsesHO-PEG11-OH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].