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Molecule
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
Identifiers
CAS Registry Number
112-27-6
SMILES
OCCOCCOCCO
InChI Key
ZIBGPFATKBEMQZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
Names and Synonyms
- Triethylene Glycol Common Name
- Ethanol, 2,2′-[1,2-ethanediylbis(oxy)]bis- Synonym
- Triethylene glycol Synonym
- 2,2′-[1,2-Ethanediylbis(oxy)]bis[ethanol] Synonym
- 1,2-Di(β-hydroxyethoxy)ethane Synonym
- 3,6-Dioxaoctane-1,8-diol Synonym
- 2,2′-Ethylenedioxydiethanol Synonym
- Glycol bis(hydroxyethyl) ether Synonym
- TEG Synonym
- Triglycol Synonym
- 1,2-Bis(2-hydroxyethoxy)ethane Synonym
- Trigol Synonym
- TEG (glycol) Synonym
- 2-[2-(2-Hydroxyethoxy)ethoxy]ethanol Synonym
- 1,8-Dihydroxy-3,6-dioxaoctane Synonym
- NSC 60758 Synonym
- Crestwood A Synonym
- Hanlon TEG Synonym
- 2,2′-(Ethane-1,2-diylbis(oxy))diethanol Synonym
- 2,2′-(Ethane-1,2-diylbis(oxy))bis(ethanol) Synonym
- 2-[2-(2-Hydroxyethoxy)ethoxy]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.17 g/mol | CAS Common Chemistry |
| 150.174 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1274 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethylene_glycol | 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 |
| -0.9958 | RDKit | |
| Molar Refractivity | 35.809599999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 150.089208928 g/mol | RDKit |
| Boiling Point | 165 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| 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.
External Resources
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MW = 150.17 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
