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

• ChemBase ID: 103897
• Molecular Formular: C16H30O4Sn
• Molecular Mass: 405.108
• Monoisotopic Mass: 406.11660344
• SMILES: CCCCC(CC)C(=O)O[Sn]OC(=O)C(CC)CCCC
• Canonical SMILES: CCCCC(C(=O)O[Sn]OC(=O)C(CCCC)CC)CC
• InChI: InChI=1S/2C8H16O2.Sn/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: KSBAEPSJVUENNK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethylhexanoyl)oxy]stannyl 2-ethylhexanoate
• IUPAC Traditional name: [(2-ethylhexanoyl)oxy]stannyl 2-ethylhexanoate
• Synonyms: Stannous octoate; 2-Ethylhexanoic acid tin(II) salt; Tin(II) 2-ethylhexanoate; Stannous Caprylate; STANNOUS 2-ETHYLHEXANOATE

Database IDs

• CAS Number: 301-10-0
• EC Number: 206-108-6
• PubChem SID: 162092419
• PubChem CID: 16689712

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7862
• LogD (pH = 7.4): 2.7862
• Log P: 2.7862
• Molar Refractivity: 80.243 cm^3
• Polarizability: 37.22903 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231.9 °C
• Boiling Point: 2260 °C at 1013 hPa
• Density: 7.3 g/cm^3 at 20 °C
• Vapor Pressure: 1.3332 hPa at 1492 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39