2-Hydroxy-4-methoxybenzophenone

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  • Identifiers

    CAS number
    131-57-7

    Molecular formula
    C14H12O3

    SMILES
    COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 81.33%
    Balsamic 55.5%
    Phenolic 50.18%
    Floral 45.66%
    Vanilla 45.21%
    Spicy 41.32%
    Herbal 39.85%
    Powdery 39.46%
    Aromatic 38.62%
    Bitter 34.74%

     

    Flavor
    Bitter 80.42%
    Balsam 26.75%
    Odorless 24.18%
    Wintergreen 23.74%
    Lovage 21.93%
    Herbal 21.77%
    Ethyl benzoate 20.81%
    Aniseed 20.64%
    Nitrile 20.47%
    Tarragon 20.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.01 (weak base)

    Molecular weight
    228.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 151 °F (NTP, 1992)
    • 65.5 °C

    Boiling point

    • 302 to 320 °F at 5 mmHg (NTP, 1992)
    • 155 °C at 5.00E+00 mm Hg

    Flash point

    • 162.11 ˚C est.
    • 100 °C (212 °F) - closed cup

    Solubility expt.

    • 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

  • Synonyms

    • oxybenzone
    • 131-57-7
    • 2-HYDROXY-4-METHOXYBENZOPHENONE
    • Benzophenone-3
    • 2-Benzoyl-5-methoxyphenol
    • Advastab 45
    • 4-Methoxy-2-hydroxybenzophenone
    • Oxibenzona
    • Oxybenzon
    • Anuvex
    • Ongrostab HMB
    • Oxybenzonum
    • Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-
    • Usaf cy-9
    • Spectra-sorb UV 9
    • Escalol 567
    • Chimassorb 90
    • Uvinul 9
    • Syntase 62
    • Uvistat 24
    • Cyasorb UV 9
    • Sunscreen UV-15
    • Uvinul M40
    • NSC-7778
    • Oxibenzonum
    • (2-Hydroxy-4-methoxyphenyl)phenylmethanone
    • (2-hydroxy-4-methoxyphenyl)-phenylmethanone
    • Cyasorb UV 9 Light Absorber
    • Benzophenone, 2-hydroxy-4-methoxy-
    • Tinosorb b 3
    • NCI-C60957
    • Uvinul 40
    • Viosorb 110
    • 95OOS7VE0Y
    • DTXSID3022405
    • CHEBI:34283
    • NSC7778
    • DTXCID002405
    • Bebak Baby Sun
    • RefChem:6089
    • 2-Hydroxy-4-methoxybenzophenone,(2-Hydroxy-4-methoxyphenyl)phenylmethanone
    • 205-031-5
    • 2-hydroxy-4-methoxybenzone
    • Eusolex-4360
    • HMBP cpd
    • (2-hydroxy-4-methoxyphenyl)(phenyl)methanone
    • Benzophenone 3
    • Eusolex 4360
    • Oxybenzonum [INN-Latin]
    • Oxibenzona [INN-Spanish]
    • UF 3
    • UV 9
    • 2-hydroxy-4-methoxy benzophenone
    • MFCD00008387
    • Uvinul M 40
    • (2-hydroxy-4-methoxy-phenyl)-phenyl-methanone
    • MOB
    • CHEMBL1625
    • 2-hydroxy-4-methoxy-benzophenone
    • NCGC00016394-07
    • CAS-131-57-7
    • (2-hydroxy-4-methoxyphenyl)(phenyl) methanone
    • 2-hydroxy-4-methoxyphenyl phenyl ketone
    • SMR000035344
    • CCRIS 1078
    • HSDB 4503
    • SR-01000610567
    • NSC 7778
    • EINECS 205-031-5
    • UNII-95OOS7VE0Y
    • BRN 1913145
    • Oxybenzone [USAN:USP:INN]
    • AI3-23644
    • Neo heliopan BB
    • Solaquin (Salt/Mix)
    • Oxybenzone (Standard)
    • Spectrum_001049
    • DuraScreen (Salt/Mix)
    • OXYBENZONE [MI]
    • KAHSCREEN BZ-3
    • OXYBENZONE [INN]
    • Prestwick0_000887
    • Prestwick1_000887
    • Prestwick2_000887
    • Prestwick3_000887
    • Spectrum2_001008
    • Spectrum3_000538
    • Spectrum4_000463
    • Spectrum5_001337
    • OXYBENZONE [HSDB]
    • OXYBENZONE [USAN]
    • OXYBENZONE [VANDF]
    • PreSun 15 (Salt/Mix)
    • Epitope ID:131795
    • WLN: 1OR CQ DVR
    • EC 205-031-5
    • OXYBENZONE [MART.]
    • OXYBENZONE [USP-RS]
    • OXYBENZONE [WHO-DD]
    • Oprea1_174131
    • SCHEMBL15551
    • BSPBio_000674
    • BSPBio_002155
    • KBioGR_000906
    • KBioSS_001529
    • MLS000039797
    • MLS001055487
    • BIDD:ER0353
    • DivK1c_000184
    • SPECTRUM1500451
    • SPBio_001135
    • SPBio_002893
    • Oxybenzone, analytical standard
    • BPBio1_000742
    • orb1310553
    • SCHEMBL9120941
    • BENZOPHENONE-3 [VANDF]
    • OXYBENZONE [ORANGE BOOK]
    • SCHEMBL27728505
    • SCHEMBL29355332
    • HMS500J06
    • HY-A0067R
    • KBio1_000184
    • KBio2_001529
    • KBio2_004097
    • KBio2_006665
    • KBio3_001655
    • 131-57-7

  • Applications

    2-Hydroxy-4-methoxybenzophenone (CAS 131-57-7) may function as a UV-absorbing/photostabilizing additive in polymers, coatings, and inks to improve lightfastness and durability; it is also used as an intermediate in organic synthesis, serving as a building block for dyes, pigments, and certain pharmaceutical compounds; in UV-curable formulations it may act as a photosensitizer or co-initiator in photoinitiator systems; and it is sometimes evaluated as a candidate UV-filter or functional additive for cosmetics or personal care formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.73
    methanol 55.9
    isopropanol 35.58
    water 0.02
    ethyl acetate 209.63
    n-propanol 48.02
    acetone 303.96
    n-butanol 34.75
    acetonitrile 200.83
    DMF 423.71
    toluene 71.04
    isobutanol 27.23
    1,4-dioxane 341.17
    methyl acetate 271.67
    THF 764.7
    2-butanone 265.88
    n-pentanol 30.6
    sec-butanol 39.96
    n-hexane 0.8
    ethylene glycol 36.38
    NMP 273.06
    cyclohexane 2.5
    DMSO 1032.85
    n-butyl acetate 89.26
    n-octanol 13.38
    chloroform 379.72
    n-propyl acetate 98.24
    acetic acid 103.23
    dichloromethane 412.71
    cyclohexanone 267.37
    propylene glycol 64.86
    isopropyl acetate 94.3
    DMAc 425.34
    2-ethoxyethanol 111.72
    isopentanol 36.41
    n-heptane 1.09
    ethyl formate 80.52
    1,2-dichloroethane 403.72
    n-hexanol 31.73
    2-methoxyethanol 248.74
    isobutyl acetate 53.33
    tetrachloromethane 14.77
    n-pentyl acetate 35.71
    transcutol 559.13
    n-heptanol 15.16
    ethylbenzene 30.08
    MIBK 85.0
    2-propoxyethanol 111.59
    tert-butanol 84.95
    MTBE 74.25
    2-butoxyethanol 54.88
    propionic acid 88.1
    o-xylene 31.71
    formic acid 38.96
    diethyl ether 87.65
    m-xylene 31.29
    p-xylene 32.81
    chlorobenzene 94.35
    dimethyl carbonate 135.26
    n-octane 0.57
    formamide 163.33
    cyclopentanone 521.68
    2-pentanone 153.95
    anisole 118.44
    cyclopentyl methyl ether 150.72
    gamma-butyrolactone 503.12
    1-methoxy-2-propanol 161.91
    pyridine 271.97
    3-pentanone 136.57
    furfural 301.94
    n-dodecane 1.07
    diethylene glycol 117.28
    diisopropyl ether 21.34
    tert-amyl alcohol 59.78
    acetylacetone 274.11
    n-hexadecane 1.31
    acetophenone 104.07
    methyl propionate 190.9
    isopentyl acetate 78.56
    trichloroethylene 651.57
    n-nonanol 14.31
    cyclohexanol 55.26
    benzyl alcohol 78.74
    2-ethylhexanol 24.52
    isooctanol 15.34
    dipropyl ether 38.0
    1,2-dichlorobenzene 78.79
    ethyl lactate 59.11
    propylene carbonate 173.02
    n-methylformamide 185.19
    2-pentanol 26.32
    n-pentane 0.46
    1-propoxy-2-propanol 80.44
    1-methoxy-2-propyl acetate 132.09
    2-(2-methoxypropoxy) propanol 93.37
    mesitylene 18.26
    ε-caprolactone 190.69
    p-cymene 16.99
    epichlorohydrin 636.4
    1,1,1-trichloroethane 176.38
    2-aminoethanol 62.86
    morpholine-4-carbaldehyde 276.1
    sulfolane 607.24
    2,2,4-trimethylpentane 1.89
    2-methyltetrahydrofuran 251.32
    n-hexyl acetate 52.99
    isooctane 1.53
    2-(2-butoxyethoxy)ethanol 115.01
    sec-butyl acetate 66.81
    tert-butyl acetate 114.07
    decalin 3.82
    glycerin 112.66
    diglyme 266.54
    acrylic acid 100.0
    isopropyl myristate 25.72
    n-butyric acid 85.49
    acetyl acetate 127.66
    di(2-ethylhexyl) phthalate 27.23
    ethyl propionate 96.1
    nitromethane 467.6
    1,2-diethoxyethane 111.82
    benzonitrile 92.58
    trioctyl phosphate 18.45
    1-bromopropane 85.67
    gamma-valerolactone 417.08
    n-decanol 11.85
    triethyl phosphate 45.42
    4-methyl-2-pentanol 20.26
    propionitrile 117.39
    vinylene carbonate 144.79
    1,1,2-trichlorotrifluoroethane 308.96
    DMS 104.59
    cumene 18.43
    2-octanol 10.03
    2-hexanone 95.83
    octyl acetate 30.41
    limonene 23.66
    1,2-dimethoxyethane 237.85
    ethyl orthosilicate 37.85
    tributyl phosphate 26.72
    diacetone alcohol 145.8
    N,N-dimethylaniline 54.29
    acrylonitrile 199.62
    aniline 111.27
    1,3-propanediol 83.95
    bromobenzene 92.0
    dibromomethane 209.78
    1,1,2,2-tetrachloroethane 443.96
    2-methyl-cyclohexyl acetate 54.87
    tetrabutyl urea 36.54
    diisobutyl methanol 19.49
    2-phenylethanol 63.37
    styrene 45.61
    dioctyl adipate 48.17
    dimethyl sulfate 238.21
    ethyl butyrate 73.2
    methyl lactate 106.96
    butyl lactate 40.12
    diethyl carbonate 62.04
    propanediol butyl ether 54.47
    triethyl orthoformate 55.61
    p-tert-butyltoluene 16.82
    methyl 4-tert-butylbenzoate 71.57
    morpholine 379.38
    tert-butylamine 31.74
    n-dodecanol 9.94
    dimethoxymethane 286.28
    ethylene carbonate 115.62
    cyrene 94.99
    2-ethoxyethyl acetate 80.8
    2-ethylhexyl acetate 57.52
    1,2,4-trichlorobenzene 110.59
    4-methylpyridine 193.63
    dibutyl ether 29.12
    2,6-dimethyl-4-heptanol 19.49
    DEF 161.78
    dimethyl isosorbide 163.37
    tetrachloroethylene 185.62
    eugenol 68.89
    triacetin 87.49
    span 80 56.51
    1,4-butanediol 25.36
    1,1-dichloroethane 223.11
    2-methyl-1-pentanol 33.77
    methyl formate 148.7
    2-methyl-1-butanol 31.5
    n-decane 1.5
    butyronitrile 73.54
    3,7-dimethyl-1-octanol 21.7
    1-chlorooctane 11.11
    1-chlorotetradecane 5.47
    n-nonane 1.15
    undecane 1.23
    tert-butylcyclohexane 3.4
    cyclooctane 0.87
    cyclopentanol 73.3
    tetrahydropyran 242.53
    tert-amyl methyl ether 57.85
    2,5,8-trioxanonane 185.14
    1-hexene 9.19
    2-isopropoxyethanol 77.51
    2,2,2-trifluoroethanol 50.92
    methyl butyrate 119.11

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction