zinc(2+) ion diacetate

• ChemBase ID: 130240
• Molecular Formular: C4H6O4Zn
• Molecular Mass: 183.46804
• Monoisotopic Mass: 181.95575067
• SMILES: [Zn+2].[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Zn+2]
• InChI: InChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: DJWUNCQRNNEAKC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion diacetate
• IUPAC Traditional name: zinc(2+) ion diacetate
• Synonyms: Zinc acetate, anhydrous; Acetic acid, Zinc salt; Acetic acid, Zinc(II) salt; Dicarbomethoxyzinc; Zinc diacetate; Zinc acetate; 乙酸锌, 无水

Database IDs

• CAS Number: 557-34-6
• EC Number: 209-170-2
• MDL Number: MFCD00012454
• Merck Index: 1410128
• PubChem SID: 162224520
• PubChem CID: 11192
• ATC CODE: A16AX05
• CHEMBL: 1200928
• Chemspider ID: 10719
• Unique Ingredient Identifier: H2ZEY72PME
• Wikipedia Title: Zinc_acetate

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 43 g/100 mL (20 °C, dihydrate) in water; soluble in alcohol
• Apperance: Granular; White solid (all forms)
• Melting Point: 200°C dec.; Decomposes 237 °C ; (dihydrate loses water at 100 °C)
• Boiling Point: decomp.
• Density: 1.735 g/cm^3 (dihydrate); 1.84

Safety Information

• Storage Warning: Hygroscopic
• RTECS: AK1500000; ZG8750000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36-50/53; R22 R36 R50/53
• Safety Statements: 26-57; S26 S60 S61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• Main Hazard: mildly toxic
• GHS Hazard statements: H400-H410-H319-H303
• GHS Precautionary statements: P280-P273-P305+P351+P338-P312-P337+P313-P501A

Product Information

• Purity: 99.98% (metals basis)