tris(tert-butoxy)alumane

• ChemBase ID: 106795
• Molecular Formular: C12H27AlO3
• Molecular Mass: 246.322518
• Monoisotopic Mass: 246.17755835
• SMILES: CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C
• Canonical SMILES: CC(O[Al](OC(C)(C)C)OC(C)(C)C)(C)C
• InChI: InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3
• InChIKey: MDDPTCUZZASZIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(tert-butoxy)alumane
• IUPAC Traditional name: aluminum tert-butoxide
• Synonyms: ALUMINUM-tert-BUTOXIDE; Aluminum-tri-tert-butoxide; Aluminum tert-butoxide; 三叔丁氧基铝; 叔丁醇铝

Database IDs

• CAS Number: 556-91-2
• EC Number: 209-146-1
• MDL Number: MFCD00008801
• Beilstein Number: 4148229
• PubChem SID: 162087328; 24845804; 24854119
• PubChem CID: 16684776

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3265
• LogD (pH = 7.4): 3.3265
• Log P: 3.3265
• Molar Refractivity: 62.5575 cm^3
• Polarizability: 27.413965 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-34; R:15-17
• Safety Statements: 8-16-26-36/37/39-45; S:7/8
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2925 4.1/PG 2

Product Information

• Purity: 10.5-13.5% Al basis (KT)
• Grade: technical; technical grade
• Linear Formula: Al[OC(CH3)3]3

DETAILS

MP Biomedicals - 05201442

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 235849

Packaging
10, 50 g in glass bottle

Sigma Aldrich - 06201

General description
contains variable amounts of aluminum isopropoxide