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Diglyme
CAS: 111-96-6 | C6H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-96-6
Molecular Formula:
C6H14O3
Molecular Mass:
134.18 g/mol
Names and Synonyms:
Diglyme
Ethane, 1,1′-oxybis[2-methoxy-
Ether, bis(2-methoxyethyl)
1,1′-Oxybis[2-methoxyethane]
Diethylene glycol dimethyl ether
Diglyme
Poly-Solv
2,5,8-Trioxanonane
Bis(2-methoxyethyl) ether
Glyme 2
2-(2-Methoxyethoxy)-1-methoxyethane
Dimethyl carbitol
(2-Methoxyethyl) ether
Ethanol, 2,2′-oxybis-, dimethyl ether
Methyl diglyme
Di(2-methoxyethyl) ether
Glyme 3
Dimethyl digol
Hisolve MDM
Ansul Ether 141
NSC 59726
1,5-Dimethoxy-3-oxapentane
1-(2-Methoxyethoxy)-2-methoxyethane
DMDG
B 0498
1-Methoxy-2-(2-methoxyethoxy)ethane
Identifiers:
SMILES:
COCCOCCOC
InChI:
InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
Key Properties
Boiling Point
162 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-68 °C
CAS Common Chemistry
Density
0.95 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 | 134.18 g/mol | CAS Common Chemistry |
| 134.175 g/mol | RDKit | |
| 134.094294308 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9451 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diglyme | CAS Common Chemistry |
| Boiling Point | 162 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)CCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SBZXBUIDTXKZTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -68 °C | CAS Common Chemistry |
| Name | Diglyme | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.29580000000000006 | RDKit |
| Molar Refractivity | 34.57099999999999 | RDKit |
