Back to Search
2-(Chloroethoxy)Ethanol
CAS: 628-89-7 | C4H9ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
628-89-7
Molecular Formula:
C4H9ClO2
Molecular Weight:
124.56700000000001 g/mol
Names and Synonyms:
2-(Chloroethoxy)Ethanol
Ethanol, 2-(2-chloroethoxy)-
2-(2-Chloroethoxy)ethanol
Diglycol chlorohydrin
5-Chloro-3-oxa-1-pentanol
2-Chloroethyl 2-hydroxyethyl ether
Diethylene glycol monochlorohydrin
2-(2′-Chloroethoxy)ethanol
2-(2-Hydroxyethoxy)ethyl chloride
2-(Chloroethoxy)ethanol
Ethylene glycol mono(2-chloroethyl) ether
NSC 2648
2-[(2-Chloroethyl)oxy]ethanol
2-(2-Chloroethoxy)ethan-1-ol
Identifiers:
SMILES:
OCCOCCCl
InChI:
InChI=1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 124.56700000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 124.029107208 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.23409999999999997 | RDKit |
| molecular_mass | 124.57 g/mol | Legacy Database |
| cas-boiling-point | 91-92 °C @ Press: 13 Torr None | Legacy Database |
| cas-canonical-smile | ClCCOCCO None | Legacy Database |
| cas-inchi | InChI=1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LECMBPWEOVZHKN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-(Chloroethoxy)ethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.62479999999999 | RDKit |
