Chlorohydroxy benzophenone

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  • Identifiers

    CAS number
    85-19-8

    Molecular formula
    C13H9ClO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 54.0%
    Phenolic 47.08%
    Floral 43.07%
    Balsamic 41.96%
    Fruity 38.75%
    Bitter 37.82%
    Spicy 31.65%
    Powdery 30.87%
    Neroli 29.2%
    Aromatic 29.12%

     

    Flavor
    Bitter 83.39%
    Odorless 28.04%
    Mild 24.02%
    Nitrile 22.08%
    Very strong 21.64%
    Indole 21.17%
    Orange flower 20.83%
    Urine 20.47%
    Orange blossom 20.42%
    Moth ball 20.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.94 (weak base)

    Molecular weight
    232.66 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Melting point expt.

    • 95.3 °C
    • MP: 96-98 °C (205-208 °F)

    Flash point

    • 166.38 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Practically insoluble in water
    • Soluble in alcohol, ethyl acetate, methyl ethyl ketone

  • Synonyms

    • 5-Chloro-2-hydroxybenzophenone
    • 85-19-8
    • Benzophenone-7
    • (5-Chloro-2-hydroxyphenyl)(phenyl)methanone
    • 2-Benzoyl-4-chlorophenol
    • 2-Hydroxy-5-chlorobenzophenone
    • Dow Hcb
    • (5-chloro-2-hydroxyphenyl)-phenylmethanone
    • UV Absorber nl/5
    • 3-Chloro-6-hydroxybenzophenone
    • Methanone, (5-chloro-2-hydroxyphenyl)phenyl-
    • CHLOROHYDROXY BENZOPHENONE
    • Benzophenone 7
    • (5-Chloro-2-hydroxyphenyl)phenylmethanone
    • YPJ1YPA54D
    • Benzophenone, 5-chloro-2-hydroxy-
    • DTXSID8047894
    • HSDB 2765
    • EINECS 201-592-5
    • NSC 33407
    • NSC-33407
    • DTXCID8027870
    • CHLOROHYDROXY BENZOPHENONE [HSDB]
    • UNII-YPJ1YPA54D
    • Benzophenone7
    • 5'-Chloro-2'-hydroxybenzophenone
    • p-chlorobenzoylphenol
    • MFCD00020134
    • 2Benzoyl4chlorophenol
    • 4-chloro-2-benzoylphenol
    • (5-chloro-2-hydroxy-phenyl)-phenyl-methanone
    • 2Hydroxy5chlorobenzophenone
    • 3Chloro6hydroxybenzophenone
    • 5Chloro2hydroxybenzophenone
    • SCHEMBL95155
    • Benzophenone, 5chloro2hydroxy
    • BIDD:ER0217
    • BENZOPHENONE-7 [INCI]
    • 2-hydroxy-5-chloro-benzophenone
    • 5-chloro-2-hydroxy-benzophenone
    • CHEMBL3184892
    • NSC33407
    • Tox21_200560
    • (5Chloro2hydroxyphenyl)phenylmethanone
    • 5-Chloro-2-hydroxybenzophenone, 99%
    • AKOS009156541
    • CAS-85-19-8
    • Methanone, (5chloro2hydroxyphenyl)phenyl
    • NCGC00248702-01
    • NCGC00258114-01
    • AS-15170
    • Benzophenone, 5-chloro-2-hydroxy-(8CI)
    • DB-017825
    • CS-0156570
    • NS00013400
    • EN300-254849
    • Methanone, (5-chloro-2-hydroxyphenyl)phenyl-(9CI)
    • Q27294643
    • Z979491964
    • 201-592-5

  • Applications

    Chlorohydroxy benzophenone, CAS 85-19-8, is used as a UV absorber and stabilizer in polymers, coatings, and paints to improve light stability and long-term performance; it may be used as a UV-filter in cosmetics and personal care formulations; it may act as a photoinitiator or co-initiator in UV-curing systems such as coatings, inks, and adhesives; it serves as a chemical intermediate in the synthesis of other benzophenone derivatives; and it is employed as an additive to enhance photostability in industrial adhesive formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.63
    methanol 42.89
    isopropanol 32.04
    water 0.04
    ethyl acetate 161.65
    n-propanol 51.15
    acetone 107.7
    n-butanol 42.64
    acetonitrile 77.75
    DMF 277.55
    toluene 347.16
    isobutanol 31.59
    1,4-dioxane 184.21
    methyl acetate 199.76
    THF 320.65
    2-butanone 245.35
    n-pentanol 40.15
    sec-butanol 50.61
    n-hexane 0.37
    ethylene glycol 11.73
    NMP 130.57
    cyclohexane 1.2
    DMSO 99.31
    n-butyl acetate 129.24
    n-octanol 31.03
    chloroform 213.87
    n-propyl acetate 114.81
    acetic acid 61.3
    dichloromethane 183.37
    cyclohexanone 200.13
    propylene glycol 20.98
    isopropyl acetate 96.06
    DMAc 443.11
    2-ethoxyethanol 87.5
    isopentanol 47.7
    n-heptane 1.7
    ethyl formate 79.91
    1,2-dichloroethane 166.39
    n-hexanol 51.1
    2-methoxyethanol 144.87
    isobutyl acetate 67.96
    tetrachloromethane 9.86
    n-pentyl acetate 66.07
    transcutol 465.52
    n-heptanol 33.6
    ethylbenzene 83.07
    MIBK 92.43
    2-propoxyethanol 109.61
    tert-butanol 60.73
    MTBE 80.23
    2-butoxyethanol 79.52
    propionic acid 55.89
    o-xylene 93.29
    formic acid 18.02
    diethyl ether 59.73
    m-xylene 97.34
    p-xylene 75.78
    chlorobenzene 95.68
    dimethyl carbonate 91.47
    n-octane 1.03
    formamide 78.4
    cyclopentanone 238.39
    2-pentanone 137.37
    anisole 174.61
    cyclopentyl methyl ether 99.83
    gamma-butyrolactone 219.35
    1-methoxy-2-propanol 107.42
    pyridine 372.1
    3-pentanone 130.65
    furfural 231.11
    n-dodecane 2.2
    diethylene glycol 77.71
    diisopropyl ether 20.47
    tert-amyl alcohol 74.78
    acetylacetone 185.03
    n-hexadecane 2.66
    acetophenone 155.0
    methyl propionate 146.78
    isopentyl acetate 113.0
    trichloroethylene 474.7
    n-nonanol 31.21
    cyclohexanol 52.19
    benzyl alcohol 114.19
    2-ethylhexanol 42.66
    isooctanol 32.09
    dipropyl ether 48.61
    1,2-dichlorobenzene 75.27
    ethyl lactate 53.54
    propylene carbonate 124.5
    n-methylformamide 99.2
    2-pentanol 33.64
    n-pentane 0.34
    1-propoxy-2-propanol 82.92
    1-methoxy-2-propyl acetate 136.9
    2-(2-methoxypropoxy) propanol 99.12
    mesitylene 35.24
    ε-caprolactone 176.44
    p-cymene 33.06
    epichlorohydrin 350.81
    1,1,1-trichloroethane 104.02
    2-aminoethanol 30.18
    morpholine-4-carbaldehyde 207.32
    sulfolane 165.54
    2,2,4-trimethylpentane 2.18
    2-methyltetrahydrofuran 166.31
    n-hexyl acetate 85.19
    isooctane 1.68
    2-(2-butoxyethoxy)ethanol 132.1
    sec-butyl acetate 85.78
    tert-butyl acetate 110.21
    decalin 3.92
    glycerin 33.52
    diglyme 277.68
    acrylic acid 56.26
    isopropyl myristate 39.15
    n-butyric acid 76.18
    acetyl acetate 104.26
    di(2-ethylhexyl) phthalate 36.54
    ethyl propionate 105.27
    nitromethane 158.94
    1,2-diethoxyethane 128.81
    benzonitrile 135.2
    trioctyl phosphate 25.05
    1-bromopropane 59.65
    gamma-valerolactone 272.18
    n-decanol 24.2
    triethyl phosphate 45.28
    4-methyl-2-pentanol 30.17
    propionitrile 88.04
    vinylene carbonate 132.56
    1,1,2-trichlorotrifluoroethane 177.39
    DMS 99.43
    cumene 36.82
    2-octanol 26.35
    2-hexanone 122.25
    octyl acetate 45.7
    limonene 41.04
    1,2-dimethoxyethane 209.43
    ethyl orthosilicate 42.04
    tributyl phosphate 31.74
    diacetone alcohol 139.11
    N,N-dimethylaniline 86.69
    acrylonitrile 155.4
    aniline 147.78
    1,3-propanediol 50.29
    bromobenzene 97.3
    dibromomethane 91.2
    1,1,2,2-tetrachloroethane 278.71
    2-methyl-cyclohexyl acetate 69.69
    tetrabutyl urea 47.42
    diisobutyl methanol 29.71
    2-phenylethanol 99.47
    styrene 104.85
    dioctyl adipate 58.8
    dimethyl sulfate 112.51
    ethyl butyrate 101.78
    methyl lactate 63.89
    butyl lactate 57.29
    diethyl carbonate 67.95
    propanediol butyl ether 72.89
    triethyl orthoformate 62.46
    p-tert-butyltoluene 32.15
    methyl 4-tert-butylbenzoate 88.99
    morpholine 206.23
    tert-butylamine 27.67
    n-dodecanol 18.88
    dimethoxymethane 177.68
    ethylene carbonate 88.91
    cyrene 94.96
    2-ethoxyethyl acetate 115.81
    2-ethylhexyl acetate 86.44
    1,2,4-trichlorobenzene 103.51
    4-methylpyridine 350.28
    dibutyl ether 45.09
    2,6-dimethyl-4-heptanol 29.71
    DEF 169.77
    dimethyl isosorbide 170.33
    tetrachloroethylene 140.05
    eugenol 96.73
    triacetin 95.0
    span 80 67.21
    1,4-butanediol 18.55
    1,1-dichloroethane 112.08
    2-methyl-1-pentanol 50.61
    methyl formate 88.06
    2-methyl-1-butanol 49.66
    n-decane 2.93
    butyronitrile 70.6
    3,7-dimethyl-1-octanol 38.49
    1-chlorooctane 21.3
    1-chlorotetradecane 9.65
    n-nonane 2.14
    undecane 2.5
    tert-butylcyclohexane 4.49
    cyclooctane 0.63
    cyclopentanol 46.26
    tetrahydropyran 140.71
    tert-amyl methyl ether 76.97
    2,5,8-trioxanonane 184.78
    1-hexene 9.12
    2-isopropoxyethanol 72.23
    2,2,2-trifluoroethanol 26.37
    methyl butyrate 137.22

    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