Aluminum tert-butoxide

C12H27AlO3CAS 556-91-2246.33 g/mol

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O−O−O−Al3+
Alcohol

Properties

Molecular formula
C12H27AlO3
Molar mass
246.33 g/mol
Exact mass
246.1776 Da
Boiling point
160–170 °C (at 1 Torr)
logP
0.40Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
556-91-2
SMILES
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]
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.

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Names and synonyms

11 names
  • 2-Propanol, 2-methyl-, aluminum salt (3:1)
  • tert-Butyl alcohol, aluminum salt
  • 2-Propanol, 2-methyl-, aluminum salt
  • Aluminum tert-butylate
  • Tri-tert-butoxyaluminum
  • Aluminum tert-butanolate
  • Aluminum tri-tert-butoxide
  • Aluminum tris(tert-butoxide)
  • Tris(2-methyl-2-propanolato)aluminum
  • Aluminum t-butoxide
  • Aluminum tris(tert-butylate)

Reactions

Work with Aluminum 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 Sodium tert-butoxide865-48-5Salt Lithium tert-butoxide1907-33-1Salt Lithium tri-tert-butoxyaluminum hydride17476-04-9Salt Magnesium tert-butoxide32149-57-8Salt

Similar compounds

Hafnium tert-butoxide2172-02-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Aluminum tri-sec-butoxide2269-22-9 Aluminum tributoxide3085-30-1

Elsewhere

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