Back to Search
2-Methoxy-1-Propanol
CAS: 1589-47-5 | C4H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1589-47-5
Molecular Formula:
C4H10O2
Molecular Mass:
90.12 g/mol
Names and Synonyms:
2-Methoxy-1-Propanol
1-Propanol, 2-methoxy-
2-Methoxy-1-propanol
2-Methoxypropanol
2-Methoxy-1-hydroxypropane
Identifiers:
SMILES:
COC(C)CO
InChI:
InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
Key Properties
Boiling Point
130 °C
CAS Common Chemistry
Density
0.94 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 | 0.94 g/cm³ | CAS Common Chemistry |
| 0.938 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 130 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YTTFFPATQICAQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methoxy-1-propanol | 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 | 0.013600000000000001 | RDKit |
| Molar Refractivity | 23.556799999999992 | RDKit |
