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2-[(2-Chloroethoxy)Ethoxy]Ethanol
CAS: 5197-62-6 | C6H13ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5197-62-6
Molecular Formula:
C6H13ClO3
Molecular Mass:
168.62 g/mol
Names and Synonyms:
2-[(2-Chloroethoxy)Ethoxy]Ethanol
Ethanol, 2-[2-(2-chloroethoxy)ethoxy]-
2-[2-(2-Chloroethoxy)ethoxy]ethanol
Triethylene glycol monochloride
8-Chloro-3,6-dioxa-1-octanol
Diethylene glycol mono(2-chloroethyl) ether
Triethylene glycol monochlorohydrin
8-Chloro-3,6-dioxaoctanol
2-[(2-Chloroethoxy)ethoxy]ethanol
NSC 2636
2-[2-(2-Hydroxyethoxy)ethoxy]ethyl chloride
2-(2-(2-Chloroethoxy)ethoxy)ethan-1-ol
2-(2-(2-Chlorethoxy)ethoxy)ethanol
PEG 168
Identifiers:
SMILES:
OCCOCCOCCCl
InChI:
InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2
Key Properties
Boiling Point
113-114 °C @ Press: 2 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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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 |
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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 | 168.62 g/mol | CAS Common Chemistry |
| 168.055321956 g/mol | RDKit | |
| Boiling Point | 113-114 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCOCCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KECMLGZOQMJIBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[(2-Chloroethoxy)ethoxy]ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 0.2506999999999999 | RDKit |
| Molar Refractivity | 39.44380000000001 | RDKit |
