zinc(2+) ion diacetate dihydrate

• ChemBase ID: 295264
• Molecular Formular: C4H10O6Zn
• Molecular Mass: 219.4986
• Monoisotopic Mass: 217.97688004
• SMILES: CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.O.O.[Zn+2]
• InChI: InChI=1S/2C2H4O2.2H2O.Zn/c2*1-2(3)4;;;/h2*1H3,(H,3,4);2*1H2;/q;;;;+2/p-2
• InChIKey: BEAZKUGSCHFXIQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion diacetate dihydrate
• IUPAC Traditional name: zinc(2+) ion diacetate dihydrate
• Synonyms: Acetic acid zinc salt; Zinc acetate dihydrate; Zinc acetate dihydrate, ACS; 二水乙酸锌; 二水乙酸锌, ACS

Database IDs

• CAS Number: 5970-45-6
• EC Number: 209-170-2
• MDL Number: MFCD00066961
• Beilstein Number: 3732513
• Merck Index: 1410128
• PubChem SID: 180680795
• PubChem CID: 2724192

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: Soluble in water, alcohol
• Apperance: Crystalline
• Melting Point: 237°C
• Density: 1.735

Safety Information

• RTECS: ZG8750000
• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-36-50/53
• Safety Statements: 26-36-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H400-H410-H319-H303
• GHS Precautionary statements: P280-P273-P305+P351+P338-P312-P337+P313-P501A

Product Information

• Purity: 97+%; 98.0-101.0%