Back to Search
Sodium Butoxide
CAS: 2372-45-4 | C4H10NaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2372-45-4
Molecular Formula:
C4H10NaO
Molecular Mass:
97.11 g/mol
Names and Synonyms:
Sodium Butoxide
1-Butanol, sodium salt (1:1)
Butyl alcohol, sodium salt
Sodium butoxide
1-Butanol, sodium salt
Sodium butylate
Sodium 1-butoxide
Sodium n-butylate
Sodium n-butoxide
Sodium butanolate
Identifiers:
SMILES:
CCCCO.[Na]
InChI:
InChI=1S/C4H10O.Na/c1-2-3-4-5;/h5H,2-4H2,1H3;
Key Properties
Melting Point
-21 °C
CAS Common Chemistry
Density
0.86 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 | 97.11 g/mol | CAS Common Chemistry |
| 97.11299999999999 g/mol | RDKit | |
| 97.06293422 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.861 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Na/c1-2-3-4-5;/h5H,2-4H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=BDFJWKALVSRGSR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -21 °C | CAS Common Chemistry |
| Name | Sodium butoxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.39799999999999996 | RDKit |
| Molar Refractivity | 27.747799999999987 | RDKit |
