[(2-ethylhexanoyl)oxy]cuprio 2-ethylhexanoate

• ChemBase ID: 151485
• Molecular Formular: C16H30CuO4
• Molecular Mass: 349.953
• Monoisotopic Mass: 349.14400694
• SMILES: CCCCC(CC)C(=O)O[Cu]OC(=O)C(CC)CCCC
• Canonical SMILES: CCCCC(C(=O)O[Cu]OC(=O)C(CCCC)CC)CC
• InChI: InChI=1S/2C8H16O2.Cu/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: SEKCXMNFUDONGJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethylhexanoyl)oxy]cuprio 2-ethylhexanoate
• IUPAC Traditional name: [(2-ethylhexanoyl)oxy]cuprio 2-ethylhexanoate
• Synonyms: Copper(II) 2-ethylhexanoate; 2-乙基己酸铜(II)

Database IDs

• CAS Number: 149-11-1
• EC Number: 205-731-0
• MDL Number: MFCD00015695
• PubChem SID: 162245638; 24860474
• PubChem CID: 10904221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6882
• LogD (pH = 7.4): 4.6882
• Log P: 4.6882
• Molar Refractivity: 78.643 cm^3
• Polarizability: 34.993275 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 252 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: [CH3(CH2)3CH(C2H5)CO2]2Cu

DETAILS

Sigma Aldrich - 337323

Packaging
5, 25 g in glass bottle