tris(propan-2-yloxy)alumane

• ChemBase ID: 145466
• Molecular Formular: C9H21AlO3
• Molecular Mass: 204.242778
• Monoisotopic Mass: 204.13060816
• SMILES: CC(C)O[Al](OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Al](OC(C)C)OC(C)C)C
• InChI: InChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: SMZOGRDCAXLAAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yloxy)alumane
• IUPAC Traditional name: aluminum isopropoxide
• Synonyms: AIP; Aluminum isopropylate; Aluminum triisopropoxide; Aluminum isopropoxide; 三异丙氧基铝; 铝 异丙酸盐; 异丙醇铝

Database IDs

• CAS Number: 555-31-7
• EC Number: 209-090-8
• MDL Number: MFCD00008870
• Beilstein Number: 3910275
• PubChem SID: 162239671; 24853273; 24852958
• PubChem CID: 16685055

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0919
• LogD (pH = 7.4): 3.0919
• Log P: 3.0919
• Molar Refractivity: 48.6429 cm^3
• Polarizability: 21.901812 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks; solid
• Melting Point: 128-133 °C(lit.); 134-138 °C
• Flash Point: 16 °C; 60.8 °F
• Density: 1.035 g/mL at 25 °C(lit.)

Safety Information

• RTECS: BD0975000
• European Hazard Symbols: Flammable (F)
• UN Number: 3181
• German water hazard class: 1
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 8-16
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, 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 3181 4.1/PG 2

Product Information

• Purity: ≥97.0% (KT); ≥98%; ≥99.99% trace metals basis
• Grade: purum
• Quality: dist.
• Linear Formula: Al[OCH(CH3)2]3

DETAILS

Sigma Aldrich - 220418

Packaging
1 kg in poly bottle
100 g in poly bottle

Sigma Aldrich - 229407

Application
Commonly used as a precursor to prepare alumina1,2,3
Packaging
10, 50, 250 g in poly bottle