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Tetraethylene Glycol Monomethyl Ether
CAS: 23783-42-8 | C9H20O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23783-42-8
Molecular Formula:
C9H20O5
Molecular Mass:
208.25 g/mol
Names and Synonyms:
Tetraethylene Glycol Monomethyl Ether
3,6,9,12-Tetraoxatridecan-1-ol
2,5,8,11-Tetraoxatridecan-13-ol
Ethanol, 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-
Tetraethylene glycol monomethyl ether
Methoxytetraethylene glycol
3,6,9,12-Tetraoxatridecanol
Tetraethylene glycol methyl ether
NSC 345692
Tetrakis(ethylene glycol) monomethyl ether
2-(2-[2-(2-Methoxyethoxy)ethoxy]ethoxy)ethanol
2,5,8,11-Tetraoxatridecan-13-o1
Identifiers:
SMILES:
COCCOCCOCCOCCO
InChI:
InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
Key Properties
Boiling Point
128-130 °C @ Press: 0.7 Torr
CAS Common Chemistry
Density
1.07 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.25 g/mol | CAS Common Chemistry |
| 208.25399999999996 g/mol | RDKit | |
| 208.13107374 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0659 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 128-130 °C @ Press: 0.7 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNYRFEPBTVGZDN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetraethylene glycol monomethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.150000000000006 Ų | RDKit |
| LogP | -0.32509999999999944 | RDKit |
| Molar Refractivity | 51.41880000000004 | RDKit |
