dihydroxyalumanyl acetate

• ChemBase ID: 131508
• Molecular Formular: C2H5AlO4
• Molecular Mass: 120.040238
• Monoisotopic Mass: 120.00032227
• SMILES: CC(=O)O[Al](O)O
• Canonical SMILES: O[Al](OC(=O)C)O
• InChI: InChI=1S/C2H4O2.Al.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2/q;+3;;/p-3
• InChIKey: KLMDYFUUSKOJAX-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: dihydroxyalumanyl acetate
• IUPAC Traditional name: dihydroxyalumanyl acetate
• Synonyms: Aluminum acetate, dibasic; Dihydroxyaluminum acetate; 次乙酸铝; 碱式醋酸铝

Database IDs

• CAS Number: 7360-44-3
• EC Number: 233-139-2
• MDL Number: MFCD00010672
• PubChem SID: 24890420; 24857743; 162225786
• PubChem CID: 16683978

CALCULATED PROPERTIES

• Acid pKa: 14.617585
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8791
• LogD (pH = 7.4): -0.8791
• Log P: -0.8791
• Molar Refractivity: 16.8453 cm^3
• Polarizability: 9.215995 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 60-61
• Safety Statements: 53-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H360FD
• GHS Precautionary statements: P201-P308 + P313

Product Information

• Compostion: Al, 19%
• Impurities: 0.5% Boron (B)
• Cation Traces: Na: 2%, NaCl
• Contains: boric acid as stabilizer
• Linear Formula: C2H5O4Al

DETAILS

Sigma Aldrich - 294853

Packaging
1 kg in glass bottle
250 g in glass bottle