Aluminum tributoxide

C12H27AlO3CAS 3085-30-1246.33 g/mol

Open in Covalent MOL file
O−O−O−Al3+
Alcohol

Properties

Molecular formula
C12H27AlO3
Molar mass
246.33 g/mol
Exact mass
246.1776 Da
Melting point
102 °C
Boiling point
242 °C (at 0.7 Torr)
logP
0.40Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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
3085-30-1
SMILES
CCCC[O-].CCCC[O-].CCCC[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

14 names · show all
  • 1-Butanol, aluminum salt (3:1)
  • Aluminum butoxide
  • Butyl alcohol, aluminum salt
  • 1-Butanol, aluminum salt
  • Tributoxyaluminum
  • Aluminum butylate
  • Aluminum tributylate
  • Tris(butoxy)aluminum
  • Tributyl aluminate
  • Aluminum n-butylate
  • Aluminum n-butoxide
  • Aluminum tributoxide (Al(OBu)3)
  • Aluminum butanolate
  • AKA 020

Work with Aluminum tributoxide

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.

1-Butanol71-36-3Parent compound Sodium butoxide2372-45-4Salt

Similar compounds

Pentane109-66-041 % similar Hexane110-54-341 % similar Aluminium triethoxide555-75-940 % similar Octane111-65-939 % similar Nonane111-84-239 % similar Dodecane112-40-339 % similar Icosane112-95-839 % similar Undecane1120-21-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Aluminum tri-sec-butoxide2269-22-9 Aluminum tert-butoxide556-91-2

Elsewhere

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