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Triethylene Glycol Monoethyl Ether
CAS: 112-50-5 | C8H18O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-50-5
Molecular Formula:
C8H18O4
Molecular Mass:
178.23 g/mol
Names and Synonyms:
Triethylene Glycol Monoethyl Ether
Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-
2-[2-(2-Ethoxyethoxy)ethoxy]ethanol
Dowanol TE
Ethoxytriglycol
Triethylene glycol monoethyl ether
Triglycol monoethyl ether
3,6,9-Trioxaundecan-1-ol
Ethoxytriethylene glycol
Ethyltriglycol
Poly-solve TE
12: PN: WO2017021334 SEQID: 18 claimed sequence
Identifiers:
SMILES:
CCOCCOCCOCCO
InChI:
InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3
Key Properties
Boiling Point
255.4 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-18.7 °C
CAS Common Chemistry
Density
1.02 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 | 178.23 g/mol | CAS Common Chemistry |
| 178.22799999999998 g/mol | RDKit | |
| 178.120509056 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.018 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 255.4 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 45.21680000000002 | RDKit |
