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  • 2-Hydroxy-4-methoxybenzophenone

  • 2-Hydroxy-4-methoxybenzophenone

    Catalog Number
    ACM131577-1
    CAS Number
    131-57-7
    Product Name
    2-Hydroxy-4-methoxybenzophenone
    Structure
    Category
    Plastic Additives; Polymers
    Synonyms
    Oxybenzone
    Description
    2-hydroxy-4-methoxybenzophenone appears as white to off-white or light yellow powder. (NTP, 1992);DryPowder; Liquid;Solid
    IUPAC Name
    (2-hydroxy-4-methoxyphenyl)-phenylmethanone
    Molecular Weight
    228
    Molecular Formula
    C14H12O3
    Canonical SMILES
    COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
    InChI
    InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
    InChI Key
    DXGLGDHPHMLXJC-UHFFFAOYSA-N
    Boiling Point
    302 to 320 °F at 5 mm Hg (NTP, 1992)
    Melting Point
    62.00-65.00 °C
    Flash Point
    100 °C (212 °F) - closed cup
    Density
    1.32 at 25 °C
    Solubility
    less than 1 mg/mL at 68° F (NTP, 1992);In water, 3.7 mg/L at 25 °C;Readily soluble in most organic solvents; freely soluble in alcohol and toluene; practically insoluble in water;Soluble in carbon tetrachloride;Solubility in various solvents (in percent): ethanol, 6%; acetone, >20%; chloroform, >20%; glycerin,<0.01%; isopropyl stearate, 9%; olive oil, 9%; peanut oil, 9%;1.28e-01 g/L
    Color/Form
    Colorless crystals;Crystals from isopropanol;White yellowish, cream colored powder;Pale yellow powder
    Complexity
    258
    Covalently-Bonded Unit Count
    1
    EC Number
    205-031-5
    Exact Mass
    228.078644g/mol
    Formal Charge
    0
    Heavy Atom Count
    17
    Log P
    3.79 (LogP);log Kow = 3.79;3.79
    MeSH Entry Terms
    2-hydroxy-4-methoxybenzone;2-hydroxy-4-methoxybenzophenone;benzophenone-3;Eusolex 4360;Eusolex-4360;HMBP cpd;oxybenzone;Solbar
    Monoisotopic Mass
    228.078644g/mol
    NSC Number
    757260;7778
    Odor
    Weak odor;Almost odorless or faint characteristic
    Other Experimental
    White to off-white powder. /USP/;UV: 939 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /Benzophenone, 2-hydroxy-4'-methoxy/;MASS: 38922 (NIST/EPA/MSDC Mass Spectral Database, 1990 version) /Benzophenone, 2-hydroxy-4'-methoxy/;UV: 1120 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /Benzophenone, 2-hydroxy-5-methoxy/;Henry's Law constant = 1.5X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.0X10-10 cu cm/molecule-sec at 25 °C (est)
    Rotatable Bond Count
    3
    Stability
    Stable under recommended storage conditions.;Shelf life: at least 2 years; Stability in distilled water: at least 96 hours; Stability in DMSO: at least 4 hours; Stability in corn oil: at least 10 days; Stability in acetone: at least 3 weeks; Stability in oily lotion: at least 3 weeks.
    UNII
    95OOS7VE0Y
    Vapor Pressure
    6.62X10-6 mm Hg at 25 °C (est)
    XLogP3
    3.6
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