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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 Weight:
150.174 g/mol
Names and Synonyms:
Triethylene Glycol
2-[2-(2-Hydroxyethoxy)ethoxy]ethan-1-ol
2,2′-(Ethane-1,2-diylbis(oxy))bis(ethanol)
2,2′-(Ethane-1,2-diylbis(oxy))diethanol
Hanlon TEG
Crestwood A
NSC 60758
1,8-Dihydroxy-3,6-dioxaoctane
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol
TEG (glycol)
Trigol
1,2-Bis(2-hydroxyethoxy)ethane
Triglycol
TEG
Glycol bis(hydroxyethyl) ether
2,2′-Ethylenedioxydiethanol
3,6-Dioxaoctane-1,8-diol
1,2-Di(β-hydroxyethoxy)ethane
2,2′-[1,2-Ethanediylbis(oxy)]bis[ethanol]
Triethylene glycol
Ethanol, 2,2′-[1,2-ethanediylbis(oxy)]bis-
Identifiers:
SMILES:
OCCOCCOCCO
InChI:
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 150.174 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 150.089208928 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.92 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.9958000000000002 | RDKit |
| cas-name | Triethylene glycol None | Legacy Database |
| wikipedia-name | Triethylene glycol None | Legacy Database |
| molecular_mass | 150.17 g/mol | Legacy Database |
| density | 1.13 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triethylene_glycol None | Legacy Database |
| cas-boiling-point | 165 °C @ Press: 14 Torr None | Legacy Database |
| cas-canonical-smile | OCCOCCOCCO None | Legacy Database |
| cas-density | 1.1274 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=ZIBGPFATKBEMQZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -7 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.809599999999996 | RDKit |
