Phenylmercuric Chloride

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  • Identifiers

    CAS number
    100-56-1

    Molecular formula
    C6H5ClHg

    SMILES
    C1=CC=C(C=C1)[Hg]Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 60.17%
    Rose 40.22%
    Sulfurous 36.14%
    Green 35.8%
    Earthy 32.48%
    Sweet 31.39%
    Burnt 31.19%
    Phenolic 29.89%
    Hyacinth 28.61%
    Metallic 27.74%

     

    Flavor
    Sulfurous 53.75%
    Meaty 51.48%
    Onion 40.69%
    Garlic 38.95%
    Sulfury 32.18%
    Phenolic 31.86%
    Roasted 30.85%
    Fishy 30.42%
    Mild 28.54%
    Horseradish 27.66%

     

  • Properties

    pKa est.
    5.74 (weak acid)

    Molecular weight
    313.15 g/mol

    Melting point expt.

    • 250-252 °C

    Flash point

    • 118.78 ˚C est.

    Solubility expt.

    • Sol in about 20,000 parts cold water; slightly sol in hot alcohol; sol in benzene, ether, pyridine

  • Synonyms

    • PHENYLMERCURIC CHLORIDE
    • Phenylmercury chloride
    • Agrenal
    • 100-56-1
    • Hexason
    • Chlorophenylmercury
    • Agronal
    • Mercutal
    • Merfazin
    • Stopspot
    • Mersolite 2
    • PMC (fungicide)
    • Phenyl chloromercury
    • Mercuriphenyl chloride
    • (Chloromercuri)benzene
    • Fenylmercurichlorid
    • Hexasonum (base)
    • Monophenylmercury chloride
    • Chlorid fenylrtutnaty
    • chloro(phenyl)mercury
    • Benzene, (chloromercurio)-
    • Phenylquecksilberchlorid
    • Phenyl mercuric chloride
    • DTXSID4042129
    • X0R4ES0U7Z
    • DTXCID2022129
    • RefChem:173084
    • 202-865-1
    • Mercury, chlorophenyl-
    • Caswell No. 656E
    • Fenylmercurichlorid [Czech]
    • Chlorid fenylrtutnaty [Czech]
    • HSDB 2056
    • Phenylquecksilberchlorid [German]
    • EINECS 202-865-1
    • UNII-X0R4ES0U7Z
    • EPA Pesticide Chemical Code 066007
    • BRN 3536717
    • Phenylmercuric chloride [NF]
    • AI3-14667
    • Chloridophenylmercury
    • Benzene, (chloromercuri)-
    • Phenylmercury(II) chloride
    • SCHEMBL131704
    • SCHEMBL8180538
    • SCHEMBL9696068
    • AAA10056
    • Tox21_300878
    • AKOS015903913
    • NCGC00248200-01
    • NCGC00254782-01
    • CAS-100-56-1
    • Q26840861
    • Phenylmercury chloride, PESTANAL(R), analytical standard
    • 100-56-1

  • Applications

    Phenylmercuric chloride (CAS 100-56-1) has been used as an antimicrobial preservative in cosmetics and personal care products; as a biocide in coatings, paints, and printing inks; as an antiseptic or preservative in certain household cleaning formulations; as a biocidal additive in some industrial process fluids; and historically as a preservative/biocide in wood and textile applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.22
    methanol 130.13
    isopropanol 128.91
    water 1.12
    ethyl acetate 215.6
    n-propanol 144.4
    acetone 339.38
    n-butanol 152.96
    acetonitrile 113.83
    DMF 570.5
    toluene 235.99
    isobutanol 114.1
    1,4-dioxane 699.42
    methyl acetate 219.54
    THF 1002.01
    2-butanone 280.44
    n-pentanol 143.36
    sec-butanol 135.02
    n-hexane 18.26
    ethylene glycol 54.39
    NMP 506.48
    cyclohexane 48.79
    DMSO 459.53
    n-butyl acetate 235.3
    n-octanol 135.78
    chloroform 534.83
    n-propyl acetate 194.16
    acetic acid 188.14
    dichloromethane 356.6
    cyclohexanone 497.7
    propylene glycol 69.37
    isopropyl acetate 181.39
    DMAc 415.32
    2-ethoxyethanol 281.68
    isopentanol 141.85
    n-heptane 52.7
    ethyl formate 163.26
    1,2-dichloroethane 260.95
    n-hexanol 189.42
    2-methoxyethanol 378.84
    isobutyl acetate 164.56
    tetrachloromethane 105.73
    n-pentyl acetate 210.24
    transcutol 734.07
    n-heptanol 143.28
    ethylbenzene 108.96
    MIBK 208.76
    2-propoxyethanol 361.19
    tert-butanol 184.36
    MTBE 214.74
    2-butoxyethanol 269.53
    propionic acid 113.12
    o-xylene 146.9
    formic acid 65.62
    diethyl ether 232.9
    m-xylene 153.99
    p-xylene 119.39
    chlorobenzene 224.11
    dimethyl carbonate 160.09
    n-octane 25.03
    formamide 127.01
    cyclopentanone 610.43
    2-pentanone 277.3
    anisole 287.43
    cyclopentyl methyl ether 409.75
    gamma-butyrolactone 506.02
    1-methoxy-2-propanol 326.91
    pyridine 464.3
    3-pentanone 214.54
    furfural 555.36
    n-dodecane 20.78
    diethylene glycol 263.46
    diisopropyl ether 105.71
    tert-amyl alcohol 169.19
    acetylacetone 355.59
    n-hexadecane 23.9
    acetophenone 271.6
    methyl propionate 204.92
    isopentyl acetate 216.23
    trichloroethylene 607.54
    n-nonanol 130.94
    cyclohexanol 216.31
    benzyl alcohol 227.81
    2-ethylhexanol 145.13
    isooctanol 124.49
    dipropyl ether 209.72
    1,2-dichlorobenzene 210.73
    ethyl lactate 116.17
    propylene carbonate 277.09
    n-methylformamide 213.24
    2-pentanol 133.44
    n-pentane 27.91
    1-propoxy-2-propanol 301.33
    1-methoxy-2-propyl acetate 310.98
    2-(2-methoxypropoxy) propanol 252.28
    mesitylene 108.58
    ε-caprolactone 408.85
    p-cymene 117.84
    epichlorohydrin 567.98
    1,1,1-trichloroethane 283.7
    2-aminoethanol 96.6
    morpholine-4-carbaldehyde 673.07
    sulfolane 589.24
    2,2,4-trimethylpentane 24.03
    2-methyltetrahydrofuran 529.41
    n-hexyl acetate 218.5
    isooctane 22.38
    2-(2-butoxyethoxy)ethanol 350.85
    sec-butyl acetate 158.55
    tert-butyl acetate 244.08
    decalin 30.99
    glycerin 121.97
    diglyme 617.65
    acrylic acid 114.01
    isopropyl myristate 122.86
    n-butyric acid 190.24
    acetyl acetate 169.56
    di(2-ethylhexyl) phthalate 112.83
    ethyl propionate 156.39
    nitromethane 334.67
    1,2-diethoxyethane 350.47
    benzonitrile 242.52
    trioctyl phosphate 91.74
    1-bromopropane 160.72
    gamma-valerolactone 800.8
    n-decanol 103.59
    triethyl phosphate 110.82
    4-methyl-2-pentanol 102.16
    propionitrile 124.11
    vinylene carbonate 278.39
    1,1,2-trichlorotrifluoroethane 445.19
    DMS 180.46
    cumene 84.46
    2-octanol 114.61
    2-hexanone 226.89
    octyl acetate 139.43
    limonene 165.4
    1,2-dimethoxyethane 503.24
    ethyl orthosilicate 118.01
    tributyl phosphate 97.81
    diacetone alcohol 294.45
    N,N-dimethylaniline 205.52
    acrylonitrile 157.01
    aniline 227.62
    1,3-propanediol 156.49
    bromobenzene 230.33
    dibromomethane 249.37
    1,1,2,2-tetrachloroethane 469.91
    2-methyl-cyclohexyl acetate 181.42
    tetrabutyl urea 154.86
    diisobutyl methanol 117.6
    2-phenylethanol 238.99
    styrene 137.22
    dioctyl adipate 153.9
    dimethyl sulfate 245.88
    ethyl butyrate 190.74
    methyl lactate 147.67
    butyl lactate 172.61
    diethyl carbonate 121.28
    propanediol butyl ether 231.38
    triethyl orthoformate 172.96
    p-tert-butyltoluene 125.75
    methyl 4-tert-butylbenzoate 253.49
    morpholine 657.42
    tert-butylamine 119.78
    n-dodecanol 84.21
    dimethoxymethane 461.25
    ethylene carbonate 225.95
    cyrene 305.05
    2-ethoxyethyl acetate 287.33
    2-ethylhexyl acetate 191.52
    1,2,4-trichlorobenzene 266.31
    4-methylpyridine 403.85
    dibutyl ether 164.47
    2,6-dimethyl-4-heptanol 117.6
    DEF 327.84
    dimethyl isosorbide 470.99
    tetrachloroethylene 330.99
    eugenol 280.77
    triacetin 241.71
    span 80 251.16
    1,4-butanediol 82.52
    1,1-dichloroethane 239.11
    2-methyl-1-pentanol 132.38
    methyl formate 203.28
    2-methyl-1-butanol 129.48
    n-decane 32.56
    butyronitrile 153.62
    3,7-dimethyl-1-octanol 136.14
    1-chlorooctane 102.03
    1-chlorotetradecane 49.71
    n-nonane 30.43
    undecane 24.99
    tert-butylcyclohexane 33.18
    cyclooctane 28.25
    cyclopentanol 225.4
    tetrahydropyran 543.24
    tert-amyl methyl ether 204.77
    2,5,8-trioxanonane 464.05
    1-hexene 66.86
    2-isopropoxyethanol 238.17
    2,2,2-trifluoroethanol 89.21
    methyl butyrate 199.96

    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