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Diethyl Ether
CAS: 60-29-7 | C4H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60-29-7
Molecular Formula:
C4H10O
Molecular Mass:
74.12 g/mol
Names and Synonyms:
Diethyl Ether
Ethane, 1,1′-oxybis-
Ether
Ethyl ether
1,1′-Oxybis[ethane]
Anaesthetic ether
Anesthesia ether
Anesthetic ether
Diethyl ether
Diethyl oxide
Ethoxyethane
Pronarcol
3-Oxapentane
Sulfuric ether
Ethyl oxide
NSC 100036
R 610
Identifiers:
SMILES:
CCOCC
InChI:
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
Key Properties
Boiling Point
2.2 °C @ Press: 200 Torr
CAS Common Chemistry
Melting Point
-116 °C
CAS Common Chemistry
Density
0.71 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 | 74.12 g/mol | CAS Common Chemistry |
| 74.123 g/mol | RDKit | |
| 74.07316494 g/mol | RDKit | |
| Density | 0.71 g/cm³ | CAS Common Chemistry |
| 0.7134 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethyl_ether | CAS Common Chemistry |
| Boiling Point | 2.2 °C @ Press: 200 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RTZKZFJDLAIYFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -116 °C | CAS Common Chemistry |
| Name | Diethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.0428000000000002 | RDKit |
| Molar Refractivity | 22.166999999999994 | RDKit |
