# Sodium t-butoxide

**CAS:** 865-48-5  
**PubChem CID:** [23676156](https://pubchem.ncbi.nlm.nih.gov/compound/23676156)  
**Molecular formula:** C₄H₉NaO  
**Molar mass:** 96.10 g/mol  
**IUPAC:** sodium 2-methylpropan-2-olate  
**SMILES:** `CC(C)(C)[O-].[Na+]`  
**InChIKey:** `MFRIHAYPQRLWNB-UHFFFAOYSA-N`  
**InChI:** `InChI=1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 23.1 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 6 |

## 3D structure

The molecule contains 15 atoms connected by 14 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/865-48-5/

## Synonyms

- Sodium 2-methylpropan-2-olate
- sodium t-butoxide
- sodium;2-methylpropan-2-olate
- (tert-butoxy)sodium
- 2-Propanol, 2-methyl-, sodium salt
- EINECS 212-741-9
- sodium t-butanolate
- sodium tert butoxide
- sodium tert-butanolate
- sodium-t-butoxide

## Data sources

- [PubChem CID 23676156](https://pubchem.ncbi.nlm.nih.gov/compound/23676156)
- [Wikidata](https://www.wikidata.org/wiki/Q5237011)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=865-48-5)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=865-48-5)

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*Last updated: 2026-10-17 · Generator: MOL-GOD v3.12.33*