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Molecule
1-Propoxy-2-Propanol
CAS: 1569-01-3 · C6H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1569-01-3
- Molecular Formula
- C6H14O2
- Molecular Mass
- 118.18 g/mol
Identifiers
CAS Registry Number
1569-01-3
SMILES
CCCOCC(C)O
InChI Key
FENFUOGYJVOCRY-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3
Names and Synonyms
- 1-Propoxy-2-Propanol Synonym
- 2-Propanol, 1-propoxy- Synonym
- 1-Propoxy-2-propanol Synonym
- 1,2-Propylene glycol 1-propyl ether Synonym
- Arcosolv PNP Synonym
- Propasol solvent P Synonym
- 1-(1-Propyloxy)propan-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.18 g/mol | CAS Common Chemistry |
| 118.17599999999997 g/mol | RDKit | |
| 118.176 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8886 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OC(C)COCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FENFUOGYJVOCRY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -80 °C | CAS Common Chemistry |
| Name | 1-Propoxy-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.7938000000000001 | RDKit |
| 0.7938 | RDKit | |
| Molar Refractivity | 32.79079999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 118.099379688 g/mol | RDKit |
| Boiling Point | 148-149 °C @ 730 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 118.18 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O2.
