Back to Search
Molecule
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 Mass
- 118.18 g/mol
Identifiers
CAS Registry Number
7580-85-0
SMILES
CC(C)(C)OCCO
InChI Key
BDLXTDLGTWNUFM-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3
Names and Synonyms
- Ethylene Glycol Mono-Tert-Butyl Ether Common Name
- Ethanol, 2-(1,1-dimethylethoxy)- Synonym
- Ethanol, 2-tert-butoxy- Synonym
- 2-(1,1-Dimethylethoxy)ethanol Synonym
- Ethylene glycol mono-tert-butyl ether Synonym
- Swasolve ETB Synonym
- 2-tert-Butoxyethanol Synonym
- tert-Butyl 2-hydroxyethyl ether Synonym
- tert-Butyl Cellosolve Synonym
- Ethylene glycol tert-butyl ether Synonym
- 2-tert-Butoxyethyl alcohol Synonym
- 2-(tert-Butoxy)ethan-1-ol Synonym
- 2-[(2-Methylpropan-2-yl)oxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.18 g/mol | CAS Common Chemistry |
| 118.17599999999999 g/mol | RDKit | |
| 118.176 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8970 g/cm3 @ 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 |
| 0.7938 | RDKit | |
| Molar Refractivity | 32.79079999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 118.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 118.18 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O2.
