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Ethylene Glycol
CAS: 107-21-1 | C2H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-21-1
Molecular Formula:
C2H6O2
Molecular Weight:
62.068000000000005 g/mol
Names and Synonyms:
Ethylene Glycol
Common Name
E 0105
Synonym
SR 01
Synonym
E 600 (glycol)
Synonym
E 600
Synonym
Glysil GS
Synonym
NSC 93876
Synonym
MEG 100
Synonym
Union Carbide XL 54 Type I De-icing Fluid
Synonym
146AR
Synonym
1,2-Ethylene glycol
Synonym
Zerex
Synonym
Norkool
Synonym
Dowtherm SR 1
Synonym
Ucar 17
Synonym
Fridex
Synonym
2-Hydroxyethanol
Synonym
Ramp
Synonym
1,2-Dihydroxyethane
Synonym
Tescol
Synonym
Monoethylene glycol
Synonym
Macrogol 400 BPC
Synonym
Glycol alcohol
Synonym
Ethylene dihydrate
Synonym
Ethylene alcohol
Synonym
Ethylene glycol
Synonym
Glycol
Synonym
1,2-Ethanediol
Synonym
Identifiers:
SMILES:
OCCO
InChI:
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
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 | 62.068000000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 62.036779432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0290000000000001 | RDKit |
| molecular_mass | 62.07 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethylene_glycol None | Legacy Database |
| cas-boiling-point | 197.3 °C None | Legacy Database |
| cas-canonical-smile | OCCO None | Legacy Database |
| cas-density | 1.1135 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LYCAIKOWRPUZTN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -13 °C None | Legacy Database |
| cas-name | Ethylene glycol None | Legacy Database |
| wikipedia-name | Ethylene glycol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 14.171600000000002 | RDKit |