zinc(2+) ion dioctadecanoate

• ChemBase ID: 111617
• Molecular Formular: C36H70O4Zn
• Molecular Mass: 632.3186
• Monoisotopic Mass: 630.45655272
• SMILES: [Zn+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
• InChI: InChI=1S/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: XOOUIPVCVHRTMJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion dioctadecanoate
• IUPAC Traditional name: zinc, ion (zn2+) bis(formula 300); zinc(2+) ion bis(n-octadecanoate)
• Synonyms: ZINC STEARATE; Zinc octadecanoate; Stearic acid zinc salt; Zinc stearate; zinc distearate; 硬脂酸锌

Database IDs

• CAS Number: 557-05-1
• EC Number: 209-151-9
• MDL Number: MFCD00013031
• Merck Index: 1410158
• PubChem SID: 162097163
• PubChem CID: 11178
• Chemspider ID: 10705
• Unique Ingredient Identifier: H92E6QA4FV
• Wikipedia Title: Zinc_stearate

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4899144
• LogD (pH = 7.4): 4.7307796
• Log P: 7.14572
• Molar Refractivity: 97.1227 cm^3
• Polarizability: 34.295197 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: insoluble in alcohol; insoluble in water; Insoluble in water, alcohol and ether. Soluble in benzene
• Apperance: Powder; soft, white powder
• Melting Point: 120–130 °C; 129°C; 130°C
• Boiling Point: decomposes
• Flash Point: 277 °C
• Auto Ignition Point: 420 °C
• Density: 1.095 g/cm3, solid

Safety Information

• RTECS: WI4390000; ZH5200000
• European Hazard Symbols: Flammable (F); Nature polluting (N)
• Risk Statements: 53; R:15-17-58
• Safety Statements: 61; S:7/8-61
• TSCA Listed: 是
• NFPA704:
  

  2

  1

  0
• GHS Hazard statements: H413
• GHS Precautionary statements: P273-P501A

Product Information

• Purity: ZnO 12.5-14%

DETAILS

MP Biomedicals - 05220030

MP Biomedicals Rare Chemical collection