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2-(2-Methoxyethoxy)Ethanol
CAS: 111-77-3 | C5H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-77-3
Molecular Formula:
C5H12O3
Molecular Weight:
120.148 g/mol
Names and Synonyms:
2-(2-Methoxyethoxy)Ethanol
2-(2-Methoxyethoxy) methanol
Transcultol P
Nycosol 13
Methoxydiethylene glycol
M 0537
2-Hydroxyethyl 2-methoxyethyl ether
Hisolve DM
Bikanol M 2
MDG
NSC 2261
2-(2-Methoxyethoxy)ethan-1-ol
Methyldiethylene glycol
2-(2′-Methoxyethoxy)ethanol
Ethanol, 2,2′-oxybis-, monomethyl ether
Hicotol CAR
Ektasolve DM
3,6-Dioxa-1-heptanol
Methyl digol
Methyl Dioxitol
Methyl Carbitol
β-Methoxy-β′-hydroxydiethyl ether
Dowanol DM
Diglycol monomethyl ether
Diethylene glycol monomethyl ether
Diethylene glycol methyl ether
2-(2-Methoxyethoxy)ethanol
Ethanol, 2-(2-methoxyethoxy)-
Poly-Solv DM
Identifiers:
SMILES:
COCCOCCO
InChI:
InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 120.15 g/mol | Legacy Database |
| density | 1.04 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-(2-Methoxyethoxy)ethanol None | Legacy Database |
| cas-boiling-point | 193 °C None | Legacy Database |
| cas-canonical-smile | OCCOCCOC None | Legacy Database |
| cas-density | 1.035 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SBASXUCJHJRPEV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <-84 °C None | Legacy Database |
| cas-name | Diethylene glycol monomethyl ether None | Legacy Database |
| wikipedia-name | 2-(2-Methoxyethoxy)ethanol None | Legacy Database |
| LogP | -0.3583 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.148 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.078644244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.780799999999985 | RDKit |
