2,3,4-Trichlorophenol

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  • Identifiers

    CAS number
    15950-66-0

    Molecular formula
    C6H3Cl3O

    SMILES
    C1=CC(=C(C(=C1O)Cl)Cl)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.11%
    Odorless 42.56%
    Burnt 36.76%
    Smoky 32.19%
    Spicy 25.2%
    Medicinal 25.16%
    Animal 21.25%
    Dry 20.19%
    Woody 19.0%
    Meaty 17.65%

     

    Flavor
    Bitter 60.14%
    Odorless 32.08%
    Mild 28.75%
    Very strong 20.79%
    Sweet-like 20.65%
    Scallion 20.34%
    Nitrile 20.26%
    Indole 20.12%
    Rotten 20.09%
    Flat 19.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.28 (neutral)

    Molecular weight
    197.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 135 °F (USCG, 1999)
    • 171 to 174 °F (NTP, 1992)
    • 57 °C (FP)
    • 79-81 °C

    Boiling point

    • 485 °F at 760 mmHg (USCG, 1999)
    • Sublimes (NTP, 1992)
    • 252 °C

    Flash point

    • 110.29 ˚C est.
    • 62 °C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Solubility in water: none

  • Synonyms

    • 2,3,4-TRICHLOROPHENOL
    • 15950-66-0
    • TRICHLOROPHENOL
    • Phenol, 2,3,4-trichloro-
    • 25167-82-2
    • 8JWE1AV71F
    • Phenol, trichloro-
    • DTXSID5026207
    • CCRIS 6108
    • 2,3,4-Trichlorophenol 100 microg/mL in Methanol
    • Phenol, 2,3,4-trichloro-; 2,3,4-Trichlorophenol
    • EINECS 240-083-2
    • UNII-8JWE1AV71F
    • PHENOL,2,3,4-TRICHLORO-
    • MLS002415679
    • SCHEMBL136940
    • DTXCID806207
    • CHEMBL1341844
    • HMS3039N08
    • TRICHLOROPHENOL, 2,3,4-
    • QAA95066
    • Tox21_200297
    • MFCD00002161
    • AKOS015850025
    • NCGC00091874-01
    • NCGC00091874-02
    • NCGC00257851-01
    • BS-21605
    • SMR001370874
    • 2,3,4-Trichlorophenol, analytical standard
    • CAS-15950-66-0
    • CS-0204642
    • NS00002552
    • EN300-1238591
    • 2,3,4-Trichlorophenol 10 microg/mL in Cyclohexane
    • Q2024329
    • Z1255419158
    • 2,3,4-Trichlorophenol, PESTANAL(R), analytical standard
    • InChI=1/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10

  • Applications

    2,3,4-Trichlorophenol is primarily used as an industrial chemical intermediate. It is commonly employed as a building block in the synthesis of agrochemicals (pesticides/herbicides) and in the production of dyes and pigments. It also serves as a precursor for chlorinated phenolic resins and certain specialty polymers, and is used in coatings and inks formulations as a reactive starting material for resin systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.95
    methanol 28.12
    isopropanol 37.67
    water 0.07
    ethyl acetate 81.08
    n-propanol 46.6
    acetone 78.39
    n-butanol 51.11
    acetonitrile 31.44
    DMF 160.62
    toluene 60.63
    isobutanol 38.61
    1,4-dioxane 121.78
    methyl acetate 95.48
    THF 323.77
    2-butanone 112.6
    n-pentanol 55.83
    sec-butanol 61.2
    n-hexane 8.94
    ethylene glycol 11.17
    NMP 127.8
    cyclohexane 7.47
    DMSO 66.83
    n-butyl acetate 103.66
    n-octanol 54.71
    chloroform 75.22
    n-propyl acetate 83.5
    acetic acid 29.09
    dichloromethane 68.67
    cyclohexanone 95.56
    propylene glycol 13.82
    isopropyl acetate 69.47
    DMAc 181.27
    2-ethoxyethanol 109.13
    isopentanol 60.65
    n-heptane 18.33
    ethyl formate 44.33
    1,2-dichloroethane 52.74
    n-hexanol 74.16
    2-methoxyethanol 118.44
    isobutyl acetate 54.65
    tetrachloromethane 19.39
    n-pentyl acetate 83.05
    transcutol 324.83
    n-heptanol 50.13
    ethylbenzene 52.69
    MIBK 78.1
    2-propoxyethanol 133.72
    tert-butanol 69.99
    MTBE 115.13
    2-butoxyethanol 99.24
    propionic acid 25.97
    o-xylene 52.27
    formic acid 11.93
    diethyl ether 91.98
    m-xylene 52.09
    p-xylene 56.4
    chlorobenzene 37.06
    dimethyl carbonate 42.92
    n-octane 10.06
    formamide 34.63
    cyclopentanone 137.23
    2-pentanone 92.94
    anisole 114.69
    cyclopentyl methyl ether 133.51
    gamma-butyrolactone 118.85
    1-methoxy-2-propanol 104.65
    pyridine 96.85
    3-pentanone 72.52
    furfural 131.07
    n-dodecane 9.25
    diethylene glycol 79.41
    diisopropyl ether 46.25
    tert-amyl alcohol 95.07
    acetylacetone 101.74
    n-hexadecane 10.15
    acetophenone 93.46
    methyl propionate 71.93
    isopentyl acetate 96.3
    trichloroethylene 127.62
    n-nonanol 53.09
    cyclohexanol 53.25
    benzyl alcohol 72.19
    2-ethylhexanol 66.24
    isooctanol 47.59
    dipropyl ether 82.18
    1,2-dichlorobenzene 39.63
    ethyl lactate 40.34
    propylene carbonate 60.13
    n-methylformamide 54.19
    2-pentanol 57.2
    n-pentane 10.01
    1-propoxy-2-propanol 108.95
    1-methoxy-2-propyl acetate 111.78
    2-(2-methoxypropoxy) propanol 109.52
    mesitylene 35.27
    ε-caprolactone 103.85
    p-cymene 47.98
    epichlorohydrin 177.38
    1,1,1-trichloroethane 69.65
    2-aminoethanol 23.95
    morpholine-4-carbaldehyde 155.81
    sulfolane 115.09
    2,2,4-trimethylpentane 11.15
    2-methyltetrahydrofuran 197.15
    n-hexyl acetate 94.29
    isooctane 8.83
    2-(2-butoxyethoxy)ethanol 142.39
    sec-butyl acetate 68.08
    tert-butyl acetate 105.85
    decalin 11.01
    glycerin 23.82
    diglyme 236.82
    acrylic acid 24.01
    isopropyl myristate 54.0
    n-butyric acid 40.86
    acetyl acetate 47.08
    di(2-ethylhexyl) phthalate 41.37
    ethyl propionate 70.35
    nitromethane 73.99
    1,2-diethoxyethane 160.44
    benzonitrile 67.28
    trioctyl phosphate 34.87
    1-bromopropane 46.75
    gamma-valerolactone 164.74
    n-decanol 42.96
    triethyl phosphate 44.13
    4-methyl-2-pentanol 48.26
    propionitrile 41.19
    vinylene carbonate 56.19
    1,1,2-trichlorotrifluoroethane 115.43
    DMS 66.65
    cumene 37.64
    2-octanol 48.12
    2-hexanone 94.98
    octyl acetate 59.42
    limonene 64.23
    1,2-dimethoxyethane 207.59
    ethyl orthosilicate 47.54
    tributyl phosphate 39.48
    diacetone alcohol 120.08
    N,N-dimethylaniline 85.79
    acrylonitrile 49.62
    aniline 56.11
    1,3-propanediol 40.29
    bromobenzene 37.48
    dibromomethane 48.63
    1,1,2,2-tetrachloroethane 87.83
    2-methyl-cyclohexyl acetate 73.19
    tetrabutyl urea 67.4
    diisobutyl methanol 48.28
    2-phenylethanol 90.54
    styrene 54.61
    dioctyl adipate 64.97
    dimethyl sulfate 60.93
    ethyl butyrate 84.21
    methyl lactate 43.77
    butyl lactate 59.37
    diethyl carbonate 51.58
    propanediol butyl ether 78.14
    triethyl orthoformate 63.63
    p-tert-butyltoluene 50.32
    methyl 4-tert-butylbenzoate 88.02
    morpholine 144.64
    tert-butylamine 47.63
    n-dodecanol 35.77
    dimethoxymethane 145.93
    ethylene carbonate 41.84
    cyrene 99.16
    2-ethoxyethyl acetate 111.07
    2-ethylhexyl acetate 85.72
    1,2,4-trichlorobenzene 50.08
    4-methylpyridine 106.33
    dibutyl ether 79.12
    2,6-dimethyl-4-heptanol 48.28
    DEF 114.55
    dimethyl isosorbide 197.6
    tetrachloroethylene 65.53
    eugenol 99.18
    triacetin 80.75
    span 80 79.95
    1,4-butanediol 22.17
    1,1-dichloroethane 49.26
    2-methyl-1-pentanol 65.68
    methyl formate 49.71
    2-methyl-1-butanol 58.87
    n-decane 13.9
    butyronitrile 48.7
    3,7-dimethyl-1-octanol 62.61
    1-chlorooctane 39.29
    1-chlorotetradecane 20.66
    n-nonane 12.73
    undecane 11.05
    tert-butylcyclohexane 13.36
    cyclooctane 5.88
    cyclopentanol 60.39
    tetrahydropyran 123.95
    tert-amyl methyl ether 124.69
    2,5,8-trioxanonane 178.96
    1-hexene 35.7
    2-isopropoxyethanol 91.52
    2,2,2-trifluoroethanol 19.01
    methyl butyrate 83.26

    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