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Triethylene Glycol Monomethyl Ether
CAS: 112-35-6 | C7H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-35-6
Molecular Formula:
C7H16O4
Molecular Mass:
164.20 g/mol
Names and Synonyms:
Triethylene Glycol Monomethyl Ether
Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-
2-[2-(2-Methoxyethoxy)ethoxy]ethanol
Dowanol TMAT
Triethylene glycol monomethyl ether
Triglycol monomethyl ether
Methyltrioxitol
3,6,9-Trioxa-1-decanol
3,6,9-Trioxadecanol
Methyltriglycol
NSC 97395
Bikanol M 3
Hymol TM
Monomethoxytriethylene glycol
MTG
2-[2-(2-Methoxyethoxy)ethoxy]ethan-1-ol
2-(2-(2-Methoxyethoxy)ethoxy)ethan-1-ol
Identifiers:
SMILES:
COCCOCCOCCO
InChI:
InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
Key Properties
Boiling Point
249 °C
CAS Common Chemistry
Melting Point
-44 °C
CAS Common Chemistry
Density
1.05 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 | 164.20 g/mol | CAS Common Chemistry |
| 164.201 g/mol | RDKit | |
| 164.104858992 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0494 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 249 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JLGLQAWTXXGVEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -44 °C | CAS Common Chemistry |
| Name | Triethylene glycol monomethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | -0.34170000000000006 | RDKit |
| Molar Refractivity | 40.59980000000001 | RDKit |
