2,3,4,6-Tetrachlorophenol

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  • Identifiers

    CAS number
    58-90-2

    Molecular formula
    C6H2Cl4O

    SMILES
    C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 44.65%
    Phenolic 42.52%
    Burnt 34.16%
    Smoky 27.01%
    Spicy 20.53%
    Medicinal 20.4%
    Dry 19.29%
    Animal 19.28%
    Woody 17.69%
    Savory 15.48%

     

    Flavor
    Bitter 59.5%
    Odorless 34.55%
    Mild 26.69%
    Sweet-like 20.78%
    Very strong 19.95%
    Nitrile 19.92%
    Scallion 19.9%
    Rotten 19.79%
    Indole 19.45%
    Bland 19.35%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor threshold conc: 0.915-47.0 mg/l; detection: 0.6 mg/l.

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.84 (neutral)

    Molecular weight
    231.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 158 °F (NTP, 1992)
    • 70 °C

    Boiling point

    • 302 °F at 15 mmHg (NTP, 1992)
    • 64 °C (3.0 kPa)

    Flash point

    • 116.91 ˚C est.
    • 100 °C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • SLIGHTLY SOL IN HOT WATER; VERY SOL IN SODIUM HYDROXIDE; SOL IN HOT ACETIC ACID.
    • SOL IN ACETONE.
    • In water, 0.10 g/100 g water (temperature not specified).
    • Sol in ethanol, benzene, chloroform.
    • Solubility in water, g/100ml at 20 °C: 0.1 (very poor)

  • Synonyms

    • 2,3,4,6-TETRACHLOROPHENOL
    • 58-90-2
    • Dowicide 6
    • 2,4,5,6-Tetrachlorophenol
    • Phenol, 2,3,4,6-tetrachloro-
    • Chlorophenols
    • RCRA waste number U212
    • 1-Hydroxy-2,3,4,6-tetrachlorobenzene
    • NSC 2428
    • CCRIS 2512
    • HSDB 1338
    • EINECS 200-402-8
    • 2,3,4,6-Tetrachlorophenate
    • BRN 0779754
    • DTXSID9021716
    • UNII-2442S914FX
    • AI3-00073
    • NSC-2428
    • 2442S914FX
    • DTXCID201716
    • CHEBI:132359
    • 2,3,4,6-TeCP
    • 4-06-00-01021 (Beilstein Handbook Reference)
    • 2,3,4,6-tetrakis(chloranyl)phenol
    • 2,4,5,6-Tetrachlorophenol (contains 10% pentachlorophenol)
    • 2,3,4,6-TETRACHLOROPHENOL [HSDB]
    • CAS-58-90-2
    • RCRA waste no. U212
    • 2,3,4,6-Tetrachloro-phenol
    • KY 5
    • 2,4,6-Tetrachlorophenol
    • 2,4,5,6Tetrachlorophenol
    • SCHEMBL54380
    • Phenol,3,4,6-tetrachloro-
    • WLN: QR BG CG DG FG
    • Phenol, 2,3,4,6tetrachloro
    • CHEMBL320361
    • NSC2428
    • 1Hydroxy2,3,4,6tetrachlorobenzene
    • Tox21_201931
    • Tox21_302932
    • 1-Hydroxy-2,4,6-tetrachlorobenzene
    • AKOS015888275
    • NCGC00091890-01
    • NCGC00091890-02
    • NCGC00091890-03
    • NCGC00256521-01
    • NCGC00259480-01
    • NS00010239
    • T0068
    • 2,3,4,6-Tetrachlorophenol, analytical standard
    • Q22051085
    • 2,3,4,6-Tetrachlorophenol 10 microg/mL in Cyclohexane
    • 2,3,4,6-Tetrachlorophenol 100 microg/mL in Methanol
    • 2,3,4,6-Tetrachlorophenol 1000 microg/mL in Methanol
    • 2,3,4,6-Tetrachlorophenol, vial of 1 g, analytical standard
    • 2,4,5,6-Tetrachlorophenol (contains 10per cent pentachlorophenol)
    • 200-402-8

  • Applications

    2,3,4,6-Tetrachlorophenol is a chemical intermediate used in the synthesis of other chlorinated phenol derivatives and other specialty chemicals for industrial use. It is considered a potential component in biocides and in formulations for coatings, inks, and pigments due to its chlorinated phenol structure. Additionally, it can serve as a precursor in polymer and plastic applications or as an additive stabilizer in formulation chemistry, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.74
    methanol 7.24
    isopropanol 8.81
    water 0.08
    ethyl acetate 17.76
    n-propanol 12.53
    acetone 15.85
    n-butanol 12.43
    acetonitrile 7.6
    DMF 37.33
    toluene 17.29
    isobutanol 9.75
    1,4-dioxane 35.16
    methyl acetate 21.73
    THF 113.45
    2-butanone 27.1
    n-pentanol 16.61
    sec-butanol 16.32
    n-hexane 3.16
    ethylene glycol 3.93
    NMP 41.3
    cyclohexane 2.31
    DMSO 14.44
    n-butyl acetate 31.6
    n-octanol 24.99
    chloroform 15.04
    n-propyl acetate 21.77
    acetic acid 6.79
    dichloromethane 12.71
    cyclohexanone 22.93
    propylene glycol 4.28
    isopropyl acetate 20.94
    DMAc 62.41
    2-ethoxyethanol 38.01
    isopentanol 16.08
    n-heptane 9.06
    ethyl formate 9.71
    1,2-dichloroethane 9.6
    n-hexanol 25.92
    2-methoxyethanol 35.5
    isobutyl acetate 16.9
    tetrachloromethane 4.84
    n-pentyl acetate 30.76
    transcutol 114.27
    n-heptanol 21.62
    ethylbenzene 20.93
    MIBK 26.2
    2-propoxyethanol 52.27
    tert-butanol 19.31
    MTBE 37.81
    2-butoxyethanol 40.17
    propionic acid 6.42
    o-xylene 19.89
    formic acid 4.06
    diethyl ether 25.33
    m-xylene 17.77
    p-xylene 19.89
    chlorobenzene 7.8
    dimethyl carbonate 12.36
    n-octane 5.21
    formamide 10.85
    cyclopentanone 35.05
    2-pentanone 22.54
    anisole 43.75
    cyclopentyl methyl ether 48.36
    gamma-butyrolactone 31.1
    1-methoxy-2-propanol 34.27
    pyridine 28.57
    3-pentanone 19.55
    furfural 31.92
    n-dodecane 4.81
    diethylene glycol 29.41
    diisopropyl ether 18.34
    tert-amyl alcohol 29.33
    acetylacetone 26.82
    n-hexadecane 5.3
    acetophenone 32.4
    methyl propionate 19.02
    isopentyl acetate 33.65
    trichloroethylene 24.01
    n-nonanol 25.76
    cyclohexanol 15.37
    benzyl alcohol 23.78
    2-ethylhexanol 27.22
    isooctanol 20.96
    dipropyl ether 36.62
    1,2-dichlorobenzene 9.15
    ethyl lactate 13.85
    propylene carbonate 15.92
    n-methylformamide 13.94
    2-pentanol 15.65
    n-pentane 3.23
    1-propoxy-2-propanol 46.65
    1-methoxy-2-propyl acetate 42.24
    2-(2-methoxypropoxy) propanol 51.14
    mesitylene 13.4
    ε-caprolactone 27.85
    p-cymene 24.86
    epichlorohydrin 46.49
    1,1,1-trichloroethane 13.34
    2-aminoethanol 8.19
    morpholine-4-carbaldehyde 48.9
    sulfolane 29.13
    2,2,4-trimethylpentane 4.77
    2-methyltetrahydrofuran 65.49
    n-hexyl acetate 35.33
    isooctane 3.93
    2-(2-butoxyethoxy)ethanol 58.7
    sec-butyl acetate 21.9
    tert-butyl acetate 37.79
    decalin 4.33
    glycerin 8.05
    diglyme 97.39
    acrylic acid 6.27
    isopropyl myristate 24.43
    n-butyric acid 9.4
    acetyl acetate 11.08
    di(2-ethylhexyl) phthalate 17.5
    ethyl propionate 20.4
    nitromethane 15.47
    1,2-diethoxyethane 64.01
    benzonitrile 17.4
    trioctyl phosphate 14.84
    1-bromopropane 11.23
    gamma-valerolactone 42.64
    n-decanol 21.3
    triethyl phosphate 17.13
    4-methyl-2-pentanol 16.94
    propionitrile 10.59
    vinylene carbonate 13.2
    1,1,2-trichlorotrifluoroethane 33.42
    DMS 21.36
    cumene 16.73
    2-octanol 21.72
    2-hexanone 29.73
    octyl acetate 25.51
    limonene 29.61
    1,2-dimethoxyethane 69.27
    ethyl orthosilicate 19.85
    tributyl phosphate 15.69
    diacetone alcohol 40.23
    N,N-dimethylaniline 42.2
    acrylonitrile 12.19
    aniline 17.62
    1,3-propanediol 11.32
    bromobenzene 7.9
    dibromomethane 9.31
    1,1,2,2-tetrachloroethane 19.01
    2-methyl-cyclohexyl acetate 32.06
    tetrabutyl urea 29.08
    diisobutyl methanol 23.17
    2-phenylethanol 34.18
    styrene 17.61
    dioctyl adipate 27.52
    dimethyl sulfate 17.06
    ethyl butyrate 28.53
    methyl lactate 13.92
    butyl lactate 23.17
    diethyl carbonate 17.06
    propanediol butyl ether 31.02
    triethyl orthoformate 26.4
    p-tert-butyltoluene 25.9
    methyl 4-tert-butylbenzoate 40.33
    morpholine 44.83
    tert-butylamine 14.56
    n-dodecanol 17.53
    dimethoxymethane 45.1
    ethylene carbonate 9.48
    cyrene 42.63
    2-ethoxyethyl acetate 40.63
    2-ethylhexyl acetate 30.15
    1,2,4-trichlorobenzene 13.23
    4-methylpyridine 29.33
    dibutyl ether 34.92
    2,6-dimethyl-4-heptanol 23.17
    DEF 33.92
    dimethyl isosorbide 91.31
    tetrachloroethylene 14.03
    eugenol 43.97
    triacetin 30.43
    span 80 34.56
    1,4-butanediol 7.28
    1,1-dichloroethane 9.25
    2-methyl-1-pentanol 21.06
    methyl formate 11.55
    2-methyl-1-butanol 16.13
    n-decane 7.42
    butyronitrile 11.7
    3,7-dimethyl-1-octanol 28.31
    1-chlorooctane 17.94
    1-chlorotetradecane 9.86
    n-nonane 6.75
    undecane 5.82
    tert-butylcyclohexane 5.73
    cyclooctane 2.37
    cyclopentanol 17.29
    tetrahydropyran 33.87
    tert-amyl methyl ether 48.46
    2,5,8-trioxanonane 77.48
    1-hexene 11.48
    2-isopropoxyethanol 34.6
    2,2,2-trifluoroethanol 5.8
    methyl butyrate 22.27

    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