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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 Mass:
90.12 g/mol
Names and Synonyms:
Propylene Glycol Methyl Ether
2-Propanol, 1-methoxy-
1-Methoxy-2-propanol
Dowanol 33B
1-Methoxy-2-hydroxypropane
2-Methoxy-1-methylethanol
Dowtherm 209
3-Methoxy-2-propanol
Methoxyisopropanol
Closol
Propylene glycol 1-methyl ether
NSC 2409
BYK 4510
Essilor altius
Glycol ether PM
Identifiers:
SMILES:
COCC(C)O
InChI:
InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
Key Properties
Boiling Point
120.1 °C
CAS Common Chemistry
Melting Point
-96 °C
CAS Common Chemistry
Density
0.96 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 | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9620 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propylene_glycol_methyl_ether | CAS Common Chemistry |
| Boiling Point | 120.1 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)COC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ARXJGSRGQADJSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -96 °C | CAS Common Chemistry |
| Name | 1-Methoxy-2-propanol | CAS Common Chemistry |
| Propylene glycol methyl ether | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.013600000000000112 | RDKit |
| Molar Refractivity | 23.556799999999992 | RDKit |
