(acetyloxy)(hydroxy)alumanyl acetate

• ChemBase ID: 125746
• Molecular Formular: C4H7AlO5
• Molecular Mass: 162.076918
• Monoisotopic Mass: 162.01088695
• SMILES: CC(=O)O[Al](O)OC(=O)C
• Canonical SMILES: O[Al](OC(=O)C)OC(=O)C
• InChI: InChI=1S/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3
• InChIKey: HQQUTGFAWJNQIP-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)(hydroxy)alumanyl acetate
• IUPAC Traditional name: aluminum diacetate
• Synonyms: Aluminium diacetate; Aluminum diacetate hydroxide; Aluminum hydroxide acetate; Aluminum acetate, basic; 二醋酸氢氧化铝; 氢氧化二乙酸铝; 碱式醋酸铝

Database IDs

• CAS Number: 142-03-0
• EC Number: 205-518-2
• MDL Number: MFCD00008688
• PubChem SID: 24857215; 162220095
• PubChem CID: 10197832; 16682993
• Chemspider ID: 21106083
• Wikipedia Title: Aluminium_diacetate

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.576441
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3996
• LogD (pH = 7.4): -0.3996003
• Log P: -0.3996
• Molar Refractivity: 25.9968 cm^3
• Polarizability: 13.055431 Å^3
• Polar Surface Area: 72.83 Å^2

PROPERTIES

Physical Property

• Apperance: powder; White, opaque crystals
• pH: 4.0-5.0

Safety Information

• German water hazard class: 3
• Main Hazard: Causes irritation to skin and eye
• NFPA704:
  

  1

  1

  1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥28% Al2O3 basis; 12.5-18.4% Al basis
• Grade: purum; purum p.a.
• Suitability: complies for appearance of solution
• Impurities: ≤0.002% Heavy metals (as Pb); ≤0.05% Insoluble in HCl; ≤2% Ca and Mg (as (Mg)
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤200 mg/kg; K: ≤100 mg/kg; Na: ≤1%; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; sulfate (SO42-): ≤20000 mg/kg
• Linear Formula: Al(OH)(C2H3O2)2

DETAILS

Sigma Aldrich - 289825

Other Notes
No stabilizers added.
Packaging
100, 500 g in glass bottle
Physical form
Insoluble form