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Propylene Glycol Dimethyl Ether
CAS: 7778-85-0 | C5H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7778-85-0
Molecular Formula:
C5H12O2
Molecular Mass:
104.15 g/mol
Names and Synonyms:
Propylene Glycol Dimethyl Ether
Propane, 1,2-dimethoxy-
1,2-Dimethoxypropane
Propylene glycol dimethyl ether
DMFDG
Hisolve MMPOM
Identifiers:
SMILES:
COCC(C)OC
InChI:
InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
Key Properties
Boiling Point
96 °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 | 104.15 g/mol | CAS Common Chemistry |
| 104.149 g/mol | RDKit | |
| 104.083729624 g/mol | RDKit | |
| Boiling Point | 96 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CC(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LEEANUDEDHYDTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propylene glycol dimethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 0.6677000000000001 | RDKit |
| Molar Refractivity | 28.346999999999984 | RDKit |
