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Triethylene Glycol
CAS: 112-27-6 | C6H14O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-27-6
Molecular Formula:
C6H14O4
Molecular Mass:
150.17 g/mol
Names and Synonyms:
Triethylene Glycol
Ethanol, 2,2′-[1,2-ethanediylbis(oxy)]bis-
Triethylene glycol
2,2′-[1,2-Ethanediylbis(oxy)]bis[ethanol]
1,2-Di(β-hydroxyethoxy)ethane
3,6-Dioxaoctane-1,8-diol
2,2′-Ethylenedioxydiethanol
Glycol bis(hydroxyethyl) ether
TEG
Triglycol
1,2-Bis(2-hydroxyethoxy)ethane
Trigol
TEG (glycol)
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol
1,8-Dihydroxy-3,6-dioxaoctane
NSC 60758
Crestwood A
Hanlon TEG
2,2′-(Ethane-1,2-diylbis(oxy))diethanol
2,2′-(Ethane-1,2-diylbis(oxy))bis(ethanol)
2-[2-(2-Hydroxyethoxy)ethoxy]ethan-1-ol
Identifiers:
SMILES:
OCCOCCOCCO
InChI:
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
Key Properties
Boiling Point
165 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
-7 °C
CAS Common Chemistry
Density
1.13 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 | 150.17 g/mol | CAS Common Chemistry |
| 150.174 g/mol | RDKit | |
| 150.089208928 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1274 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethylene_glycol | CAS Common Chemistry |
| Boiling Point | 165 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZIBGPFATKBEMQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -7 °C | CAS Common Chemistry |
| Name | Triethylene glycol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.92 Ų | RDKit |
| LogP | -0.9958000000000002 | RDKit |
| Molar Refractivity | 35.809599999999996 | RDKit |
