Hexanoic acid, 2-ethyl-, gadolinium(3+) salt

Base Information

• Chemical Name: Hexanoic acid, 2-ethyl-, gadolinium(3+) salt
• CAS No.: 19189-19-6
• Molecular Formula: C8H16 O2 . 1/3 Gd
• Molecular Weight: 586.86
• DSSTox Substance ID: DTXSID60890782
• Nikkaji Number: J422.035H
• Mol file: 19189-19-6.mol

Synonyms:19189-19-6;Hexanoic acid, 2-ethyl-, gadolinium(3+) salt;2-ethylhexanoate;gadolinium(3+);Hexanoic acid, 2-ethyl-, gadolinium(3+) salt (3:1);DTXSID60890782

Chemical Property of Hexanoic acid, 2-ethyl-, gadolinium(3+) salt

Chemical Property:

• Vapor Pressure: 0.027mmHg at 25°C
• Melting Point: 148.7 °C
• Boiling Point: 228°Cat760mmHg
• Flash Point: 116.6°C
• PSA: 120.39000
• Density: g/cm³
• LogP: 2.85810
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 587.24573
• Heavy Atom Count: 31
• Complexity: 93.9

Purity/Quality:

99% ^*data from raw suppliers

Gadolinium(III) 2-ethylhexanoate (~25% in toluene) ^*data from reagent suppliers

Safty Information:

• Statements: 11
• Safety Statements: 9-16-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Gd+3]