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Propylene Glycol Methyl Ether
CAS: 107-98-2 | C4H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-98-2
Molecular Formula:
C4H10O2
Molecular Weight:
90.122 g/mol
Names and Synonyms:
Propylene Glycol Methyl Ether
Glycol ether PM
Essilor altius
BYK 4510
NSC 2409
Propylene glycol 1-methyl ether
Closol
Methoxyisopropanol
3-Methoxy-2-propanol
Dowtherm 209
2-Methoxy-1-methylethanol
1-Methoxy-2-hydroxypropane
Dowanol 33B
1-Methoxy-2-propanol
2-Propanol, 1-methoxy-
Identifiers:
SMILES:
COCC(C)O
InChI:
InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
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 | 90.12 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Propylene_glycol_methyl_ether None | Legacy Database |
| cas-boiling-point | 120.1 °C None | Legacy Database |
| cas-canonical-smile | OC(C)COC None | Legacy Database |
| cas-density | 0.9620 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ARXJGSRGQADJSQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -96 °C None | Legacy Database |
| cas-name | 1-Methoxy-2-propanol None | Legacy Database |
| wikipedia-name | Propylene glycol methyl ether None | Legacy Database |
| LogP | 0.013600000000000112 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.122 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.556799999999992 | RDKit |
