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Molecule
Triethylene Glycol Monoethyl Ether
CAS: 112-50-5 · C8H18O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112-50-5
- Molecular Formula
- C8H18O4
- Molecular Mass
- 178.23 g/mol
Identifiers
CAS Registry Number
112-50-5
SMILES
CCOCCOCCOCCO
InChI Key
WFSMVVDJSNMRAR-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
Names and Synonyms
- Triethylene Glycol Monoethyl Ether Common Name
- Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]- Synonym
- 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol Synonym
- Dowanol TE Synonym
- Ethoxytriglycol Synonym
- Triethylene glycol monoethyl ether Synonym
- Triglycol monoethyl ether Synonym
- 3,6,9-Trioxaundecan-1-ol Synonym
- Ethoxytriethylene glycol Synonym
- Ethyltriglycol Synonym
- Poly-solve TE Synonym
- 12: PN: WO2017021334 SEQID: 18 claimed sequence Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.23 g/mol | CAS Common Chemistry |
| 178.22799999999998 g/mol | RDKit | |
| 178.228 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.018 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCOCCOCCOCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WFSMVVDJSNMRAR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -18.7 °C | CAS Common Chemistry |
| Name | Triethylene glycol monoethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | 0.04839999999999983 | RDKit |
| 0.0484 | RDKit | |
| Molar Refractivity | 45.21680000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 178.120509056 g/mol | RDKit |
| Boiling Point | 255.4 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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Quick conversion
MW = 178.23 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18O4.
