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Ethylene Glycol Mono-Tert-Butyl Ether
CAS: 7580-85-0 | C6H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7580-85-0
Molecular Formula:
C6H14O2
Molecular Weight:
118.17599999999999 g/mol
Names and Synonyms:
Ethylene Glycol Mono-Tert-Butyl Ether
2-[(2-Methylpropan-2-yl)oxy]ethanol
2-(tert-Butoxy)ethan-1-ol
2-tert-Butoxyethyl alcohol
Ethylene glycol tert-butyl ether
tert-Butyl Cellosolve
tert-Butyl 2-hydroxyethyl ether
2-tert-Butoxyethanol
Swasolve ETB
Ethylene glycol mono-tert-butyl ether
2-(1,1-Dimethylethoxy)ethanol
Ethanol, 2-tert-butoxy-
Ethanol, 2-(1,1-dimethylethoxy)-
Identifiers:
SMILES:
CC(C)(C)OCCO
InChI:
InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3
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 | 118.18 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 153 °C None | Legacy Database |
| cas-canonical-smile | OCCOC(C)(C)C None | Legacy Database |
| cas-density | 0.8970 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BDLXTDLGTWNUFM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethylene glycol mono-tert-butyl ether None | Legacy Database |
| LogP | 0.7938000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.17599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.099379688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 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 | 32.79079999999998 | RDKit |
