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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
    Application
    2-Hydroxy-4-methoxybenzophenone serves as a crucial component in sunscreen and cosmetic formulations due to its ability to absorb ultraviolet (UV) radiation. This organic compound, commonly known as oxybenzone, is an FDA-approved UV filter that effectively absorbs both UVB and UVA II rays. By undergoing photochemical excitation, it captures UV energy and emits longer wavelength radiation, thus minimizing skin penetration and reducing the risk of DNA damage. This makes it an essential ingredient for protecting the skin from harmful UV exposure.
    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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