Phenylmercury benzoate

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  • Identifiers

    CAS number
    94-43-9

    Molecular formula
    C13H10HgO2

    SMILES
    C1=CC=C(C=C1)C(=O)O[Hg]C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 57.27%
    Green 50.32%
    Floral 46.33%
    Fruity 45.68%
    Rose 39.63%
    Honey 38.82%
    Herbal 38.35%
    Sweet 35.9%
    Metallic 35.46%
    Spicy 31.38%

     

    Flavor
    Balsam 55.83%
    Sweet 53.76%
    Fruity 43.0%
    Herbal 35.67%
    Honey 34.86%
    Balsamic 34.17%
    Powdery 33.09%
    Strawberry 32.87%
    Apricot 32.69%
    Rose 32.39%

     

  • Properties

    pKa est.
    -5.51 (strong acid)

    Molecular weight
    398.81 g/mol

    Flash point

    • 139.02 ˚C est.

  • Synonyms

    • Phenylmercury benzoate
    • PHENYLMERCURIC BENZOATE
    • (Benzoato-O)phenylmercury
    • UNII-CHY7T9AM0W
    • CHY7T9AM0W
    • Mercury, (benzoato)phenyl-
    • DTXSID70896891
    • EINECS 202-331-8
    • NSC 84248
    • NSC-84248
    • RefChem:173089
    • DTXCID701326343
    • MERCURY, (BENZOYLOXY)PHENYL-
    • Phenyl mercuric benzoate
    • 94-43-9
    • benzoyloxy(phenyl)mercury
    • Mercury, (benzoato-O)phenyl-
    • Phenyl Mercury Benzoate
    • (Benzoato-kappaO)phenylmercury
    • SCHEMBL2808750
    • NSC84248
    • Q27275470
    • 94-43-9

  • Applications

    Phenylmercury benzoate is used primarily as a preservative and antimicrobial agent in cosmetic and personal care formulations, helping to control microbial growth in products such as moisturizers, lotions, and shampoos. It has also been employed as a biocidal additive in household products and in industrial coatings and inks. Additionally, this compound can serve as an intermediate in organic synthesis and may function as a stabilizer or processing aid in certain polymer formulations, depending on formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.71
    methanol 30.27
    isopropanol 40.63
    water 0.11
    ethyl acetate 94.86
    n-propanol 53.34
    acetone 100.29
    n-butanol 57.53
    acetonitrile 57.9
    DMF 276.14
    toluene 116.88
    isobutanol 40.67
    1,4-dioxane 231.56
    methyl acetate 104.1
    THF 412.15
    2-butanone 139.89
    n-pentanol 63.77
    sec-butanol 57.86
    n-hexane 9.65
    ethylene glycol 12.46
    NMP 290.05
    cyclohexane 22.2
    DMSO 144.39
    n-butyl acetate 125.2
    n-octanol 75.31
    chloroform 339.54
    n-propyl acetate 105.15
    acetic acid 70.64
    dichloromethane 245.31
    cyclohexanone 254.06
    propylene glycol 21.02
    isopropyl acetate 84.78
    DMAc 279.04
    2-ethoxyethanol 106.73
    isopentanol 58.89
    n-heptane 22.69
    ethyl formate 71.23
    1,2-dichloroethane 172.77
    n-hexanol 83.92
    2-methoxyethanol 132.11
    isobutyl acetate 84.09
    tetrachloromethane 24.21
    n-pentyl acetate 109.48
    transcutol 414.85
    n-heptanol 65.49
    ethylbenzene 73.88
    MIBK 101.53
    2-propoxyethanol 149.31
    tert-butanol 57.08
    MTBE 81.85
    2-butoxyethanol 115.23
    propionic acid 51.25
    o-xylene 81.05
    formic acid 20.45
    diethyl ether 87.9
    m-xylene 76.24
    p-xylene 75.04
    chlorobenzene 124.73
    dimethyl carbonate 71.08
    n-octane 14.0
    formamide 53.32
    cyclopentanone 303.06
    2-pentanone 124.56
    anisole 151.53
    cyclopentyl methyl ether 171.15
    gamma-butyrolactone 247.37
    1-methoxy-2-propanol 119.28
    pyridine 275.39
    3-pentanone 110.74
    furfural 273.34
    n-dodecane 13.39
    diethylene glycol 86.97
    diisopropyl ether 44.28
    tert-amyl alcohol 70.87
    acetylacetone 148.07
    n-hexadecane 15.29
    acetophenone 156.79
    methyl propionate 102.42
    isopentyl acetate 122.78
    trichloroethylene 390.36
    n-nonanol 76.93
    cyclohexanol 91.95
    benzyl alcohol 110.9
    2-ethylhexanol 78.04
    isooctanol 59.71
    dipropyl ether 89.11
    1,2-dichlorobenzene 118.92
    ethyl lactate 63.19
    propylene carbonate 140.85
    n-methylformamide 91.58
    2-pentanol 55.27
    n-pentane 12.07
    1-propoxy-2-propanol 133.36
    1-methoxy-2-propyl acetate 155.92
    2-(2-methoxypropoxy) propanol 140.86
    mesitylene 52.3
    ε-caprolactone 210.32
    p-cymene 64.02
    epichlorohydrin 326.42
    1,1,1-trichloroethane 114.72
    2-aminoethanol 31.83
    morpholine-4-carbaldehyde 325.83
    sulfolane 262.52
    2,2,4-trimethylpentane 11.32
    2-methyltetrahydrofuran 233.79
    n-hexyl acetate 133.83
    isooctane 8.37
    2-(2-butoxyethoxy)ethanol 180.05
    sec-butyl acetate 90.07
    tert-butyl acetate 109.56
    decalin 18.68
    glycerin 36.67
    diglyme 286.02
    acrylic acid 56.4
    isopropyl myristate 72.75
    n-butyric acid 82.43
    acetyl acetate 74.96
    di(2-ethylhexyl) phthalate 67.05
    ethyl propionate 85.89
    nitromethane 134.61
    1,2-diethoxyethane 173.22
    benzonitrile 159.77
    trioctyl phosphate 48.58
    1-bromopropane 101.33
    gamma-valerolactone 368.93
    n-decanol 62.72
    triethyl phosphate 55.42
    4-methyl-2-pentanol 45.48
    propionitrile 71.65
    vinylene carbonate 159.05
    1,1,2-trichlorotrifluoroethane 190.35
    DMS 103.12
    cumene 51.03
    2-octanol 60.91
    2-hexanone 127.23
    octyl acetate 84.38
    limonene 86.64
    1,2-dimethoxyethane 214.78
    ethyl orthosilicate 57.23
    tributyl phosphate 57.16
    diacetone alcohol 126.45
    N,N-dimethylaniline 115.7
    acrylonitrile 100.01
    aniline 109.62
    1,3-propanediol 48.72
    bromobenzene 137.54
    dibromomethane 169.67
    1,1,2,2-tetrachloroethane 299.03
    2-methyl-cyclohexyl acetate 108.02
    tetrabutyl urea 95.93
    diisobutyl methanol 55.99
    2-phenylethanol 124.99
    styrene 88.24
    dioctyl adipate 94.16
    dimethyl sulfate 97.47
    ethyl butyrate 101.4
    methyl lactate 69.42
    butyl lactate 100.51
    diethyl carbonate 64.66
    propanediol butyl ether 118.43
    triethyl orthoformate 84.46
    p-tert-butyltoluene 61.22
    methyl 4-tert-butylbenzoate 131.26
    morpholine 261.93
    tert-butylamine 40.54
    n-dodecanol 51.63
    dimethoxymethane 172.15
    ethylene carbonate 113.68
    cyrene 147.21
    2-ethoxyethyl acetate 146.73
    2-ethylhexyl acetate 112.94
    1,2,4-trichlorobenzene 144.18
    4-methylpyridine 232.96
    dibutyl ether 93.83
    2,6-dimethyl-4-heptanol 55.99
    DEF 178.27
    dimethyl isosorbide 244.84
    tetrachloroethylene 149.84
    eugenol 146.39
    triacetin 133.69
    span 80 135.2
    1,4-butanediol 28.95
    1,1-dichloroethane 122.27
    2-methyl-1-pentanol 68.38
    methyl formate 72.92
    2-methyl-1-butanol 57.57
    n-decane 20.31
    butyronitrile 89.36
    3,7-dimethyl-1-octanol 81.0
    1-chlorooctane 59.47
    1-chlorotetradecane 31.81
    n-nonane 18.17
    undecane 16.02
    tert-butylcyclohexane 15.77
    cyclooctane 13.24
    cyclopentanol 97.12
    tetrahydropyran 214.03
    tert-amyl methyl ether 98.9
    2,5,8-trioxanonane 221.97
    1-hexene 41.89
    2-isopropoxyethanol 93.17
    2,2,2-trifluoroethanol 31.65
    methyl butyrate 116.29

    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