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Triethylene Glycol Dimethyl Ether
CAS: 112-49-2 | C8H18O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-49-2
Molecular Formula:
C8H18O4
Molecular Mass:
178.23 g/mol
Names and Synonyms:
Triethylene Glycol Dimethyl Ether
2,5,8,11-Tetraoxadodecane
Ethane, 1,2-bis(2-methoxyethoxy)-
Ansul Ether 161
Triglyme
1,2-Bis(2-methoxyethoxy)ethane
Triethylene glycol dimethyl ether
Glyme 4
Methyltriglyme
Hisolve MTM
NSC 66400
DMTG
1-Methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
Hisorb MTM
Identifiers:
SMILES:
COCCOCCOCCOC
InChI:
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
Key Properties
Boiling Point
216 °C
CAS Common Chemistry
Melting Point
-45 °C
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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethylene_glycol_dimethyl_ether | CAS Common Chemistry |
| Boiling Point | 216 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CCOCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YFNKIDBQEZZDLK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -45 °C | CAS Common Chemistry |
| Name | Triglyme | CAS Common Chemistry |
| Triethylene glycol dimethyl ether | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 0.3124 | RDKit |
| Molar Refractivity | 45.39000000000002 | RDKit |
