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Tert-Amyl Methyl Ether
CAS: 994-05-8 | C6H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
994-05-8
Molecular Formula:
C6H14O
Molecular Mass:
102.18 g/mol
Names and Synonyms:
Tert-Amyl Methyl Ether
Butane, 2-methoxy-2-methyl-
Ether, methyl tert-pentyl
2-Methoxy-2-methylbutane
Methyl tert-pentyl ether
2-Methyl-2-methoxybutane
tert-Amyl methyl ether
1,1-Dimethylpropyl methyl ether
Methyl 1,1-dimethylpropyl ether
tert-Pentyl methyl ether
TAME (ether)
TAME
Methyl tert-amyl ether
t-Amyl methyl ether
Identifiers:
SMILES:
CCC(C)(C)OC
InChI:
InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
Key Properties
Boiling Point
86.3 °C
CAS Common Chemistry
Density
0.77 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 | 102.18 g/mol | CAS Common Chemistry |
| 102.17699999999998 g/mol | RDKit | |
| 102.104465068 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7703 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tert-Amyl_methyl_ether | CAS Common Chemistry |
| Boiling Point | 86.3 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(C)(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HVZJRWJGKQPSFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | tert-Amyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.8214000000000001 | RDKit |
| Molar Refractivity | 31.37899999999998 | RDKit |
