tris(butan-2-yloxy)alumane

• ChemBase ID: 144764
• Molecular Formular: C12H27AlO3
• Molecular Mass: 246.322518
• Monoisotopic Mass: 246.17755835
• SMILES: CCC(C)O[Al](OC(C)CC)OC(C)CC
• Canonical SMILES: CCC(O[Al](OC(CC)C)OC(CC)C)C
• InChI: InChI=1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3
• InChIKey: WOZZOSDBXABUFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(butan-2-yloxy)alumane
• IUPAC Traditional name: tris(sec-butoxy)alumane
• Synonyms: Aluminum sec-butoxide; Aluminum-tri-sec-butoxide; Aluminum-tri-sec-butoxide; Aluminum sec-butoxide; Aluminum tri-sec-butoxide solution; 仲丁醇铝; 三仲丁氧基铝; 三仲丁氧基铝; 仲丁醇铝; 三仲丁氧基铝 溶液

Database IDs

• CAS Number: 2269-22-9
• EC Number: 218-871-2
• MDL Number: MFCD00009327
• Beilstein Number: 3910908
• PubChem SID: 24873551; 24851994; 162238976; 24845803; 24879781
• PubChem CID: 16685157

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4977
• LogD (pH = 7.4): 4.4977
• Log P: 4.4977
• Molar Refractivity: 62.2149 cm^3
• Polarizability: 27.413965 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid; solution
• Boiling Point: 200-206 °C/30 mmHg(lit.); 40 °C
• Flash Point: 105 °C; 221 °F; 26 °C; 78.8 °F
• Auto Ignition Point: 763 °F
• Density: 0.96 g/mL at 20 °C(lit.); 0.967 g/mL at 25 °C(lit.); 1.237 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1593; 1992
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 3
• Risk Statements: 10-21/22; 40
• Safety Statements: 16-26-36/37/39-43-45; 36/37
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger; Warning
• Explode Limits: 9.8 %
• GHS Hazard statements: H226-H302-H311; H351
• GHS Precautionary statements: P280-P312; P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1593 6.1/PG 3; UN 1992 3/PG 3

Product Information

• Purity: ≥95% (KT); 97%; 99.99% trace metals basis
• Concentration: 1.0 M in methylene chloride
• Grade: technical
• Linear Formula: Al(OCH[CH3]C2H5)3; Al[OCH(CH3)C2H5]3

DETAILS

Sigma Aldrich - 201073

Features and Benefits
Has been utilized in making high-surface-area alumina using 2,4-pentanedione (Aldrich product P775-4) as a chelating agent.5
Packaging
100, 500 g in glass bottle
Application
Used in the preparation of photosensitive alumina gel films,1,2 microporous crystalline aluminophosphate AlPO-41,3 and pure alumina mesoporous material.4

Sigma Aldrich - 511609

Features and Benefits
Has been utilized in making high-surface-area alumina using 2,4-pentanedione (Aldrich product P775-4) as a chelating agent.1
Packaging
5 g in glass bottle

Sigma Aldrich - 558907

Packaging
500 mL in glass bottle