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Molecule
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
Identifiers
CAS Registry Number
23783-42-8
SMILES
COCCOCCOCCOCCO
InChI Key
ZNYRFEPBTVGZDN-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
Names and Synonyms
- Tetraethylene Glycol Monomethyl Ether Common Name
- 3,6,9,12-Tetraoxatridecan-1-ol Synonym
- 2,5,8,11-Tetraoxatridecan-13-ol Synonym
- Ethanol, 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]- Synonym
- Tetraethylene glycol monomethyl ether Synonym
- Methoxytetraethylene glycol Synonym
- 3,6,9,12-Tetraoxatridecanol Synonym
- Tetraethylene glycol methyl ether Synonym
- NSC 345692 Synonym
- Tetrakis(ethylene glycol) monomethyl ether Synonym
- 2-(2-[2-(2-Methoxyethoxy)ethoxy]ethoxy)ethanol Synonym
- 2,5,8,11-Tetraoxatridecan-13-o1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.25 g/mol | CAS Common Chemistry |
| 208.25399999999996 g/mol | RDKit | |
| 208.254 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0659 g/cm3 @ 20 °C | 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 |
| 57.15 Ų | RDKit | |
| LogP | -0.32509999999999944 | RDKit |
| -0.3251 | RDKit | |
| Molar Refractivity | 51.41880000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 208.13107374 g/mol | RDKit |
| Boiling Point | 128-130 °C @ 0.7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 208.25 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
