zinc(2+) ion bis(2-ethylhexanoate)

• ChemBase ID: 303415
• Molecular Formular: C16H30O4Zn
• Molecular Mass: 351.787
• Monoisotopic Mass: 350.14355144
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zn+2]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Zn+2]
• InChI: InChI=1S/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
• InChIKey: IFNXAMCERSVZCV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(2-ethylhexanoate)
• IUPAC Traditional name: zinc(2+) ion bis(2-ethylhexanoate)
• Synonyms: 2-Ethylhexanoic acid zinc salt; Zinc 2-ethylhexanoate; 2-乙基己酸锌

Database IDs

• CAS Number: 136-53-8
• EC Number: 205-251-1
• MDL Number: MFCD00053316

CALCULATED PROPERTIES

• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 1.07

Safety Information

• European Hazard Symbols: Toxic (T); X
• UN Number: UN1268
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 45-46-10-63-65; 63
• Safety Statements: 36/37; 53-20-23-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS08
• GHS Hazard statements: H340-H350-H304-H361-H226; H361
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P280H

Product Information

• Purity: ca 80% in mineral spirits (17-19% Zn); Zn 22%, cont. 1% diethylene glycol monomethyl ether