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Glycol Monopropyl Ether
CAS: 2807-30-9 | C5H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2807-30-9
Molecular Formula:
C5H12O2
Molecular Weight:
104.14899999999999 g/mol
Names and Synonyms:
Glycol Monopropyl Ether
2-Hydroxyethyl propyl ether
Glycol monopropyl ether
2-Propoxy-1-ethanol
Ektasolve EP
Ethylene glycol propyl ether
2-(Propyloxy)ethanol
Propyl glycol
Propoxyethanol
Propyl cellosolve
Ethylene glycol mono-n-propyl ether
Ethylene glycol monopropyl ether
2-Propoxyethanol
Ethanol, 2-propoxy-
Identifiers:
SMILES:
CCCOCCO
InChI:
InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
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 | 104.15 g/mol | Legacy Database |
| density | 0.91 g/cm³ | Legacy Database |
| cas-boiling-point | 150-152 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OCCOCCC None | Legacy Database |
| cas-density | 0.9112 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YEYKMVJDLWJFOA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -90 °C None | Legacy Database |
| cas-name | Glycol monopropyl ether None | Legacy Database |
| LogP | 0.40530000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 104.14899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 104.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 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 | 28.195799999999988 | RDKit |
