Sodium pentachlorophenolate

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  • Identifiers

    CAS number
    131-52-2

    Molecular formula
    C6Cl5NaO

    SMILES
    C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 47.26%
    Phenolic 30.84%
    Burnt 28.04%
    Smoky 19.24%
    Dry 19.09%
    Animal 18.45%
    Woody 16.09%
    Medicinal 15.29%
    Musk 14.62%
    Spicy 14.1%

     

    Flavor
    Bitter 58.44%
    Odorless 34.44%
    Mild 23.07%
    Sweet-like 20.49%
    Nitrile 19.84%
    Very strong 19.81%
    Rotten 19.75%
    Bland 19.72%
    Scallion 19.48%
    Indole 19.25%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    4.75 (weak acid)

    Molecular weight
    288.3 g/mol

    Boiling point

    • Decomposes. (USCG, 1999)

    Flash point

    • 138.78 ˚C est.

    Solubility expt.

    • In water, 3.30X10+5 mg/L at 25 °C
    • Solubility in water (g/L): 22.4 at 20 °C; 33 at 30 °C
    • Solubility at 25 °C (g/L): methanol 22; acetone 37
    • 21% (wt/vol) at 5 °C (water), 29% (wt/vol) at 40 °C (water), 33% (wt/vol at 25 °C (water)
    • Soluble in ethanol and acetone; insoluble in benzene and petroleum oils
    • Solubility in water, g/100ml at 25 °C: 33

  • Synonyms

    • Sodium pentachlorophenate
    • 131-52-2
    • Sodium pentachlorophenolate
    • Sodium pentachlorophenol
    • Weedbeads
    • Pkhfn
    • Sodium pentachlorophenoxide
    • Santobrite D
    • Dowicide G
    • Preventol PN
    • Witophen N
    • Mystox D
    • PCP Sodium salt
    • PCP-Sodium
    • Sodium PCP
    • Pentanot 25
    • Santobrite
    • Dow dormant fungicide
    • Sapco 25
    • Caswell No. 784
    • Sodium pentachlorphenate
    • Pentachlorophenate sodium
    • Pentachlorophenoxy sodium
    • PENTACHLOROPHENOL, SODIUM SALT
    • Pentachlorphenol sodium salt
    • Sodium, (pentachlorophenoxy)-
    • GR 48-11PS
    • GR 48-32S
    • EPA Pesticide Chemical Code 063003
    • DTXSID4040264
    • AI3-16418
    • 640L8FZO38
    • DTXCID2020264
    • NSC-1566
    • RefChem:184058
    • Pentachlorophenate, Sodium
    • 205-025-2
    • Pentachlorophenol sodium salt
    • PENTACHLOROPHENOL SODIUM
    • Pentaphenate
    • sodium;2,3,4,5,6-pentachlorophenolate
    • Napclor-G
    • Dowicide G-ST
    • HSDB 761
    • Phenol, pentachloro-, sodium salt
    • NSC 1566
    • EINECS 205-025-2
    • UN2567
    • UNII-640L8FZO38
    • Biocel WD
    • MFCD00002163
    • Na-PCP
    • C6Cl5NaO
    • Phenol, pentachloro-, sodium salt, monohydrate
    • SCHEMBL73483
    • CHEMBL3560394
    • Pentachlorophenol sodium [WHO-DD]
    • Tox21_303795
    • CL 208
    • AKOS015963346
    • NCGC00357082-01
    • AC-19745
    • CAS-131-52-2
    • FP171620
    • PENTACHLOROPHENOL SODIUM SALT [MI]
    • NS00076305
    • P0034
    • PENTACHLOROPHENOL, SODIUM SALT [HSDB]
    • Sodium pentachlorophenate [UN2567] [Poison]
    • 2,3,4,5,6-PENTACHLOROPHENOL SODIUM SALT
    • Q22829177
    • Pentachlorophenol sodium salt, technical, >=80% (HPLC/NT)
    • 131-52-2

  • Applications

    Sodium pentachlorophenolate (CAS 131-52-2) is primarily used as an intermediate in the synthesis of chlorinated phenol derivatives employed in industrial chemicals; it is also encountered as a biocidal component in legacy wood preservation formulations, leveraging antimicrobial and antifungal properties of the pentachlorophenolate salt. In industrial manufacturing, it serves as an intermediate for dyes and certain agrochemical precursors. It is sometimes evaluated for use as a biocide in water treatment, cooling systems, and industrial cleaning formulations, subject to regulatory constraints. In coatings and inks, it may be used as an antimicrobial additive or preservative component where permitted. In analytical laboratories, it can function as a reference or standard for chlorinated phenol analyses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.3
    methanol 8.49
    isopropanol 9.83
    water 0.18
    ethyl acetate 80.1
    n-propanol 14.86
    acetone 60.55
    n-butanol 14.78
    acetonitrile 43.11
    DMF 68.92
    toluene 106.77
    isobutanol 12.71
    1,4-dioxane 147.67
    methyl acetate 77.22
    THF 216.81
    2-butanone 74.52
    n-pentanol 19.3
    sec-butanol 20.73
    n-hexane 19.75
    ethylene glycol 6.4
    NMP 152.1
    cyclohexane 38.05
    DMSO 57.55
    n-butyl acetate 86.65
    n-octanol 28.01
    chloroform 154.1
    n-propyl acetate 70.86
    acetic acid 18.67
    dichloromethane 150.94
    cyclohexanone 108.14
    propylene glycol 5.12
    isopropyl acetate 69.28
    DMAc 127.91
    2-ethoxyethanol 49.69
    isopentanol 18.07
    n-heptane 31.71
    ethyl formate 32.5
    1,2-dichloroethane 88.86
    n-hexanol 28.05
    2-methoxyethanol 45.5
    isobutyl acetate 45.17
    tetrachloromethane 44.6
    n-pentyl acetate 63.57
    transcutol 203.83
    n-heptanol 21.59
    ethylbenzene 92.75
    MIBK 61.56
    2-propoxyethanol 63.21
    tert-butanol 18.98
    MTBE 65.54
    2-butoxyethanol 42.4
    propionic acid 17.03
    o-xylene 109.6
    formic acid 8.24
    diethyl ether 78.77
    m-xylene 91.33
    p-xylene 98.84
    chlorobenzene 64.48
    dimethyl carbonate 47.74
    n-octane 18.0
    formamide 25.41
    cyclopentanone 122.48
    2-pentanone 67.97
    anisole 149.34
    cyclopentyl methyl ether 146.63
    gamma-butyrolactone 127.8
    1-methoxy-2-propanol 39.37
    pyridine 120.97
    3-pentanone 87.63
    furfural 126.46
    n-dodecane 13.68
    diethylene glycol 42.17
    diisopropyl ether 56.45
    tert-amyl alcohol 32.51
    acetylacetone 120.05
    n-hexadecane 16.11
    acetophenone 131.84
    methyl propionate 67.73
    isopentyl acetate 80.1
    trichloroethylene 201.51
    n-nonanol 30.47
    cyclohexanol 36.5
    benzyl alcohol 54.26
    2-ethylhexanol 41.0
    isooctanol 22.52
    dipropyl ether 79.3
    1,2-dichlorobenzene 77.97
    ethyl lactate 31.32
    propylene carbonate 71.8
    n-methylformamide 29.32
    2-pentanol 19.91
    n-pentane 15.8
    1-propoxy-2-propanol 57.25
    1-methoxy-2-propyl acetate 112.28
    2-(2-methoxypropoxy) propanol 85.63
    mesitylene 73.05
    ε-caprolactone 113.53
    p-cymene 77.35
    epichlorohydrin 168.07
    1,1,1-trichloroethane 111.73
    2-aminoethanol 9.91
    morpholine-4-carbaldehyde 160.76
    sulfolane 132.28
    2,2,4-trimethylpentane 16.81
    2-methyltetrahydrofuran 173.11
    n-hexyl acetate 74.75
    isooctane 12.35
    2-(2-butoxyethoxy)ethanol 81.75
    sec-butyl acetate 69.84
    tert-butyl acetate 97.25
    decalin 34.33
    glycerin 10.64
    diglyme 171.11
    acrylic acid 19.7
    isopropyl myristate 53.46
    n-butyric acid 20.44
    acetyl acetate 80.42
    di(2-ethylhexyl) phthalate 38.88
    ethyl propionate 76.93
    nitromethane 69.04
    1,2-diethoxyethane 140.02
    benzonitrile 74.11
    trioctyl phosphate 26.84
    1-bromopropane 62.58
    gamma-valerolactone 147.94
    n-decanol 26.42
    triethyl phosphate 59.59
    4-methyl-2-pentanol 20.19
    propionitrile 31.89
    vinylene carbonate 64.53
    1,1,2-trichlorotrifluoroethane 101.04
    DMS 90.9
    cumene 61.93
    2-octanol 22.79
    2-hexanone 77.63
    octyl acetate 53.1
    limonene 97.27
    1,2-dimethoxyethane 140.27
    ethyl orthosilicate 59.84
    tributyl phosphate 35.4
    diacetone alcohol 65.33
    N,N-dimethylaniline 118.42
    acrylonitrile 42.5
    aniline 54.79
    1,3-propanediol 13.17
    bromobenzene 85.57
    dibromomethane 109.7
    1,1,2,2-tetrachloroethane 139.05
    2-methyl-cyclohexyl acetate 93.83
    tetrabutyl urea 60.2
    diisobutyl methanol 35.99
    2-phenylethanol 67.77
    styrene 91.58
    dioctyl adipate 68.92
    dimethyl sulfate 74.96
    ethyl butyrate 90.11
    methyl lactate 30.81
    butyl lactate 39.34
    diethyl carbonate 66.1
    propanediol butyl ether 31.84
    triethyl orthoformate 75.54
    p-tert-butyltoluene 73.75
    methyl 4-tert-butylbenzoate 86.04
    morpholine 116.84
    tert-butylamine 16.53
    n-dodecanol 23.85
    dimethoxymethane 91.58
    ethylene carbonate 51.22
    cyrene 94.84
    2-ethoxyethyl acetate 96.93
    2-ethylhexyl acetate 88.52
    1,2,4-trichlorobenzene 100.98
    4-methylpyridine 111.93
    dibutyl ether 72.64
    2,6-dimethyl-4-heptanol 35.99
    DEF 109.03
    dimethyl isosorbide 210.11
    tetrachloroethylene 111.87
    eugenol 80.24
    triacetin 97.49
    span 80 55.29
    1,4-butanediol 8.89
    1,1-dichloroethane 64.77
    2-methyl-1-pentanol 26.81
    methyl formate 31.64
    2-methyl-1-butanol 19.89
    n-decane 21.12
    butyronitrile 30.37
    3,7-dimethyl-1-octanol 37.88
    1-chlorooctane 42.59
    1-chlorotetradecane 24.74
    n-nonane 20.79
    undecane 16.61
    tert-butylcyclohexane 26.25
    cyclooctane 32.66
    cyclopentanol 37.79
    tetrahydropyran 111.95
    tert-amyl methyl ether 88.39
    2,5,8-trioxanonane 141.8
    1-hexene 35.48
    2-isopropoxyethanol 47.17
    2,2,2-trifluoroethanol 19.98
    methyl butyrate 75.96

    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