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Ethylene Glycol Mono-Tert-Butyl Ether
CAS: 7580-85-0 | C6H14O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
7580-85-0
Molecular Formula:
C6H14O2
Molecular Mass:
118.18 g/mol
Names and Synonyms:
Ethylene Glycol Mono-Tert-Butyl Ether
Ethanol, 2-(1,1-dimethylethoxy)-
Ethanol, 2-tert-butoxy-
2-(1,1-Dimethylethoxy)ethanol
Ethylene glycol mono-tert-butyl ether
Swasolve ETB
2-tert-Butoxyethanol
tert-Butyl 2-hydroxyethyl ether
tert-Butyl Cellosolve
Ethylene glycol tert-butyl ether
2-tert-Butoxyethyl alcohol
2-(tert-Butoxy)ethan-1-ol
2-[(2-Methylpropan-2-yl)oxy]ethanol
Identifiers:
SMILES:
CC(C)(C)OCCO
InChI:
InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3
Key Properties
Boiling Point
153 °C
CAS Common Chemistry
Density
0.90 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.18 g/mol | CAS Common Chemistry |
| 118.17599999999999 g/mol | RDKit | |
| 118.099379688 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8970 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 153 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BDLXTDLGTWNUFM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethylene glycol mono-tert-butyl ether | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.7938000000000001 | RDKit |
| Molar Refractivity | 32.79079999999998 | RDKit |
