2,3,5,6-Tetrachlorophenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    935-95-5

    Molecular formula
    C6H2Cl4O

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 48.21%
    Phenolic 42.3%
    Burnt 33.19%
    Smoky 26.43%
    Spicy 20.88%
    Medicinal 19.67%
    Dry 19.29%
    Animal 19.25%
    Woody 18.34%
    Savory 15.43%

     

    Flavor
    Bitter 61.81%
    Odorless 35.06%
    Mild 26.29%
    Sweet-like 21.02%
    Very strong 20.09%
    Nitrile 20.06%
    Rotten 19.93%
    Scallion 19.91%
    Bland 19.86%
    Indole 19.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.38 (weak base)

    Molecular weight
    231.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 237 to 241 °F (NTP, 1992)
    • 115 °C

    Boiling point

    • 327 °F at 23 mmHg (NTP, 1992)
    • Sublimes

    Flash point

    • 115.83 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Very soluble in benzene, slightly soluble in water, soluble in ligroin.
    • Solubility in water: poor

  • Synonyms

    • 2,3,5,6-TETRACHLOROPHENOL
    • 935-95-5
    • Phenol, 2,3,5,6-tetrachloro-
    • 2,3,5,6-Tetrachlorophenate
    • CCRIS 4723
    • HSDB 6766
    • SW5F2W8SDJ
    • EINECS 213-310-8
    • NSC 407823
    • 2,3,5,6-Tetrachloro phenol
    • BRN 2049586
    • DTXSID2026101
    • CHEBI:52048
    • AI3-22331
    • NSC-407823
    • WLN: QR BG CG EG FG
    • DTXCID206101
    • KEWNKZNZRIAIAK-UHFFFAOYSA-
    • 2,3,5,6-TeCP
    • 2,3,5,6-tetrakis(chloranyl)phenol
    • TETRACHLOROPHENOL, 2,3,5,6-
    • 2,3,5,6-TETRACHLOROPHENOL [HSDB]
    • UNII-SW5F2W8SDJ
    • Phenol, 2,3,5,6-tetrachloro-; 2,3,5,6-Tetrachlorophenol; NSC 407823
    • TETRACHLOROPHENOLS
    • 2,3,5,6Tetrachlorophenate
    • Phenol,3,5,6-tetrachloro-
    • SCHEMBL827930
    • 2,3,5, 6-Tetrachlorophenol
    • Phenol, 2,3,5,6tetrachloro
    • 2,3,5,6-Tetrachlorophenol 10 microg/mL in Cyclohexane
    • CHEMBL1606550
    • Phenol, 2,3,5,6-tetrachloro
    • BDBM92750
    • 2,3,5,6-Tetrachlorophenol 100 microg/mL in Cyclohexane
    • 2,3,5,6-Tetrachlorohydroxybenzene
    • Tox21_200910
    • 2,3,4,6-Tetrachlorophenol (TCP)
    • NSC407823
    • AKOS015850364
    • NCGC00091853-01
    • NCGC00091853-02
    • NCGC00258464-01
    • BS-53305
    • CAS-935-95-5
    • DB-057414
    • CS-0364903
    • NS00006149
    • E84886
    • 2,3,5,6-Tetrachlorophenol, analytical standard
    • Q2224522
    • 2,3,5,6-Tetrachlorophenol, PESTANAL(R), analytical standard
    • 213-310-8

  • Applications

    2,3,5,6-Tetrachlorophenol (CAS 935-95-5) is primarily used as an intermediate in the synthesis of complex chlorinated organics and specialty chemicals. It commonly serves as a precursor for chlorinated dyes and pigments used in coatings and inks, and it is also considered a precursor for certain agrochemicals and fungicides in chemical manufacturing. Additionally, it has been studied for wood-protection formulations in historical/regulatory contexts and can function as a reference standard or reagent in organic synthesis laboratories. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.05
    methanol 28.53
    isopropanol 31.01
    water 0.26
    ethyl acetate 55.26
    n-propanol 36.71
    acetone 57.41
    n-butanol 35.63
    acetonitrile 14.53
    DMF 109.03
    toluene 16.19
    isobutanol 26.96
    1,4-dioxane 101.92
    methyl acetate 46.69
    THF 266.43
    2-butanone 62.83
    n-pentanol 41.5
    sec-butanol 37.7
    n-hexane 5.87
    ethylene glycol 16.22
    NMP 123.83
    cyclohexane 4.24
    DMSO 81.51
    n-butyl acetate 73.0
    n-octanol 29.18
    chloroform 29.05
    n-propyl acetate 58.83
    acetic acid 25.25
    dichloromethane 24.59
    cyclohexanone 65.72
    propylene glycol 16.07
    isopropyl acetate 58.46
    DMAc 113.42
    2-ethoxyethanol 107.41
    isopentanol 35.39
    n-heptane 14.33
    ethyl formate 32.04
    1,2-dichloroethane 22.26
    n-hexanol 47.31
    2-methoxyethanol 108.82
    isobutyl acetate 39.03
    tetrachloromethane 6.62
    n-pentyl acetate 52.95
    transcutol 227.22
    n-heptanol 30.34
    ethylbenzene 15.42
    MIBK 60.89
    2-propoxyethanol 124.91
    tert-butanol 46.53
    MTBE 66.17
    2-butoxyethanol 69.81
    propionic acid 22.27
    o-xylene 17.81
    formic acid 16.57
    diethyl ether 68.14
    m-xylene 20.1
    p-xylene 17.07
    chlorobenzene 12.73
    dimethyl carbonate 37.39
    n-octane 6.17
    formamide 38.32
    cyclopentanone 100.12
    2-pentanone 68.81
    anisole 56.21
    cyclopentyl methyl ether 104.68
    gamma-butyrolactone 101.34
    1-methoxy-2-propanol 106.01
    pyridine 41.74
    3-pentanone 53.39
    furfural 82.99
    n-dodecane 4.36
    diethylene glycol 97.17
    diisopropyl ether 41.81
    tert-amyl alcohol 51.98
    acetylacetone 84.55
    n-hexadecane 4.96
    acetophenone 51.83
    methyl propionate 53.42
    isopentyl acetate 64.36
    trichloroethylene 41.8
    n-nonanol 30.43
    cyclohexanol 36.66
    benzyl alcohol 38.36
    2-ethylhexanol 42.82
    isooctanol 28.76
    dipropyl ether 75.28
    1,2-dichlorobenzene 15.3
    ethyl lactate 39.58
    propylene carbonate 52.9
    n-methylformamide 46.54
    2-pentanol 39.31
    n-pentane 6.89
    1-propoxy-2-propanol 106.95
    1-methoxy-2-propyl acetate 110.16
    2-(2-methoxypropoxy) propanol 92.32
    mesitylene 17.8
    ε-caprolactone 76.0
    p-cymene 27.35
    epichlorohydrin 109.84
    1,1,1-trichloroethane 19.59
    2-aminoethanol 27.24
    morpholine-4-carbaldehyde 137.34
    sulfolane 116.24
    2,2,4-trimethylpentane 6.99
    2-methyltetrahydrofuran 132.74
    n-hexyl acetate 53.32
    isooctane 7.07
    2-(2-butoxyethoxy)ethanol 108.12
    sec-butyl acetate 52.71
    tert-butyl acetate 87.37
    decalin 5.67
    glycerin 31.7
    diglyme 172.5
    acrylic acid 21.36
    isopropyl myristate 40.01
    n-butyric acid 33.09
    acetyl acetate 35.4
    di(2-ethylhexyl) phthalate 30.24
    ethyl propionate 54.5
    nitromethane 55.49
    1,2-diethoxyethane 116.38
    benzonitrile 26.3
    trioctyl phosphate 24.92
    1-bromopropane 20.48
    gamma-valerolactone 136.64
    n-decanol 25.4
    triethyl phosphate 41.9
    4-methyl-2-pentanol 34.22
    propionitrile 20.4
    vinylene carbonate 42.02
    1,1,2-trichlorotrifluoroethane 83.27
    DMS 50.51
    cumene 15.12
    2-octanol 27.44
    2-hexanone 64.23
    octyl acetate 40.66
    limonene 39.19
    1,2-dimethoxyethane 168.3
    ethyl orthosilicate 44.61
    tributyl phosphate 29.3
    diacetone alcohol 95.71
    N,N-dimethylaniline 49.1
    acrylonitrile 23.29
    aniline 28.34
    1,3-propanediol 42.63
    bromobenzene 10.38
    dibromomethane 17.03
    1,1,2,2-tetrachloroethane 38.6
    2-methyl-cyclohexyl acetate 62.84
    tetrabutyl urea 44.58
    diisobutyl methanol 40.45
    2-phenylethanol 51.01
    styrene 15.79
    dioctyl adipate 50.44
    dimethyl sulfate 58.65
    ethyl butyrate 70.22
    methyl lactate 44.02
    butyl lactate 47.68
    diethyl carbonate 44.26
    propanediol butyl ether 53.95
    triethyl orthoformate 63.47
    p-tert-butyltoluene 29.82
    methyl 4-tert-butylbenzoate 67.62
    morpholine 116.59
    tert-butylamine 30.76
    n-dodecanol 21.05
    dimethoxymethane 132.94
    ethylene carbonate 34.71
    cyrene 96.33
    2-ethoxyethyl acetate 79.85
    2-ethylhexyl acetate 57.02
    1,2,4-trichlorobenzene 22.47
    4-methylpyridine 41.43
    dibutyl ether 49.49
    2,6-dimethyl-4-heptanol 40.45
    DEF 86.66
    dimethyl isosorbide 184.14
    tetrachloroethylene 27.09
    eugenol 71.9
    triacetin 66.66
    span 80 70.48
    1,4-butanediol 25.7
    1,1-dichloroethane 18.56
    2-methyl-1-pentanol 41.16
    methyl formate 39.2
    2-methyl-1-butanol 33.71
    n-decane 7.04
    butyronitrile 24.02
    3,7-dimethyl-1-octanol 36.85
    1-chlorooctane 19.58
    1-chlorotetradecane 10.45
    n-nonane 6.55
    undecane 5.38
    tert-butylcyclohexane 7.41
    cyclooctane 3.74
    cyclopentanol 50.28
    tetrahydropyran 82.12
    tert-amyl methyl ether 72.56
    2,5,8-trioxanonane 143.77
    1-hexene 18.13
    2-isopropoxyethanol 86.66
    2,2,2-trifluoroethanol 19.94
    methyl butyrate 59.29

    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