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Dimethoxyethane
CAS: 110-71-4 | C4H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-71-4
Molecular Formula:
C4H10O2
Molecular Mass:
90.12 g/mol
Names and Synonyms:
Dimethoxyethane
Ethane, 1,2-dimethoxy-
1,2-Dimethoxyethane
α,β-Dimethoxyethane
Dimethyl Cellosolve
Ethylene dimethyl ether
Ethylene glycol dimethyl ether
Glycol dimethyl ether
Monoglyme
Glyme
Monoethylene glycol dimethyl ether
2,5-Dioxahexane
DME
1,2-Ethanediol, dimethyl ether
DME (glycol ether)
Hisolve MMM
NSC 60542
Methyl Monoglyme
Identifiers:
SMILES:
COCCOC
InChI:
InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
Key Properties
Boiling Point
82-83 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-58 °C
CAS Common Chemistry
Density
0.86 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 | 90.12 g/mol | CAS Common Chemistry |
| 90.122 g/mol | RDKit | |
| 90.06807956 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.86285 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethoxyethane | CAS Common Chemistry |
| Boiling Point | 82-83 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)CCOC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XTHFKEDIFFGKHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -58 °C | CAS Common Chemistry |
| Name | 1,2-Dimethoxyethane | CAS Common Chemistry |
| Dimethoxyethane | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 0.2792 | RDKit |
| Molar Refractivity | 23.751999999999992 | RDKit |
