Sodium tert-butoxide

C₄H₉NaOCAS 865-48-596.10 g/mol

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Alcohol

Properties

Molecular formula: C₄H₉NaO
Molar mass: 96.10 g/mol
Exact mass: 96.0551 Da
Density: 1.1 g/mL
Melting point: 263–270 °C (decomposes)
Boiling point: 180 °C (at 1 Torr)
logP: 0.40Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid29% of notifiers
H251 Self-heating; may catch fire31.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage84.3% of notifiers
H335 May cause respiratory irritation64.7% of notifiers

Aggregated from 689 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P235, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P405, P407, P410, P413, P420, P501

Identifiers

CAS number

865-48-5

SMILES

CC(C)(C)[O-].[Na+]

InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

2-Propanol, 2-methyl-, sodium salt (1:1)
tert-Butyl alcohol, sodium salt
2-Propanol, 2-methyl-, sodium salt
tert-Butoxysodium
2-Methyl-2-propanol sodium salt
Sodium tert-butylate
tert-Butanol sodium salt
Sodium tert-butanolate
Sodium 2-methylpropan-2-olate
Sodium t-butoxide
2-Methylpropan-2-olate sodium

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 865-48-5. Each row opens the sheet with its composition and PDF.

Sodium tert-butoxide > 95 %Fisher Scientific UK · 2023-09-29

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Work with Sodium tert-butoxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

tert-Butyl alcohol75-65-0Parent compound Potassium tert-butoxide865-47-4Salt Lithium tert-butoxide1907-33-1Salt Lithium tri-tert-butoxyaluminum hydride17476-04-9Salt Aluminum tert-butoxide556-91-2Salt Magnesium tert-butoxide32149-57-8Salt

Similar compounds

Hafnium tert-butoxide2172-02-360 % similar Sodium 1,1-dimethylpropoxide14593-46-538 % similar Sodium methoxide124-41-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium butoxide2372-45-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia