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  • 2-Ethylhexyl Diphenyl Phosphate

  • 2-Ethylhexyl Diphenyl Phosphate

    Catalog Number
    ACM1241947-1
    CAS Number
    1241-94-7
    Product Name
    2-Ethylhexyl Diphenyl Phosphate
    Structure
    Category
    Battery Materials; Plastic Additives; Plasticizers
    Synonyms
    Octyl Diphenyl Phosphate
    Description
    2-ethylhexyl diphenyl phosphate is a pale yellow liquid. Insoluble in water. (NTP, 1992);Liquid
    IUPAC Name
    2-ethylhexyl diphenyl phosphate
    Molecular Weight
    362.41
    Molecular Formula
    C20H27O4P
    Canonical SMILES
    CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
    InChI
    InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
    InChI Key
    CGSLYBDCEGBZCG-UHFFFAOYSA-N
    Boiling Point
    232 °C/5 mmHg
    Melting Point
    -30 °C
    Flash Point
    224 °C
    Purity
    >90.0%(GC)
    Density
    1.09
    Solubility
    Insoluble (NTP, 1992);5.24e-06 M;In water, 1.9 mg/L at 25 °C
    Appearance
    Colorless to Almost colorless clear liquid
    Color/Form
    Liquid
    Complexity
    365
    Covalently-Bonded Unit Count
    1
    EC Number
    214-987-2
    Exact Mass
    362.164696g/mol
    Formal Charge
    0
    Hazard Statements
    H410 : Very toxic to aquatic life with long lasting effects.
    Heavy Atom Count
    25
    Log P
    5.73 (LogP);log Kow = 5.730
    MDL Number
    MFCD00059949
    MeSH Entry Terms
    2-ethylhexyldiphenylphosphate;di(2-ethylhexyl)phenylphosphate
    Monoisotopic Mass
    362.164696g/mol
    Other Experimental
    ... 2-Ethylhexyl diphenyl phosphate does not ignite spontaneously below 1000 °F and remains fluid at low temperatures ... .;BP: 232 °C at 5 mm Hg;MP: -80 °C; BP: 330 °C; VP: 0.5 mm Hg at 100 °C;Very low vapor pressure;Henry's Law constant = 5.42X10-5 atm cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 3.98X10-11 cu cm/molec-sec at 25 °C (est)
    Precautionary Statements
    P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P391 : Collect spillage.
    Refractive Index
    1.51
    Rotatable Bond Count
    11
    Signal Word
    Warning
    Specific Gravity
    1.09
    Stability
    Stable under recommended storage conditions.
    UN Number
    3082
    Vapor Pressure
    5.00e-05 mmHg;3.3X10-5 mm Hg at 25 °C (est)
    XLogP3
    6.3
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