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Sodium Ethoxide
CAS: 141-52-6 | C2H6NaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 141-52-6
- Molecular Formula
- C2H6NaO
- Molecular Mass
- 69.06 g/mol
Identifiers
CAS Registry Number
141-52-6
SMILES
CCO.[Na]
InChI Key
SSVFMICWXDVRQN-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O.Na/c1-2-3;/h3H,2H2,1H3;
Names and Synonyms
- Sodium Ethoxide Common Name
- Sodium ethoxide Synonym
- Ethanol, sodium salt (1:1) Synonym
- Ethyl alcohol, sodium salt Synonym
- Ethanol, sodium salt Synonym
- Caustic alcohol Synonym
- Sodium ethylate Synonym
- Sodium ethanolate Synonym
- Ethoxysodium Synonym
- Sodium ethoxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 69.06 g/mol | CAS Common Chemistry |
| 69.059 g/mol | RDKit | |
| 70.067 g/mol | chempirical lib | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.868 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_ethoxide | CAS Common Chemistry |
| Canonical SMILES | [Na].OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O.Na/c1-2-3;/h3H,2H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=SSVFMICWXDVRQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium ethoxide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.38220000000000004 | RDKit |
| -0.3822 | RDKit | |
| Molar Refractivity | 18.5138 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 69.031634092 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.
