2,3,5-Trichlorophenol

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  • Identifiers

    CAS number
    933-78-8

    Molecular formula
    C6H3Cl3O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 49.17%
    Odorless 45.68%
    Burnt 32.72%
    Smoky 28.51%
    Spicy 24.76%
    Woody 24.17%
    Animal 23.67%
    Medicinal 22.41%
    Dry 21.89%
    Meaty 17.49%

     

    Flavor
    Bitter 60.87%
    Odorless 33.38%
    Mild 29.17%
    Very strong 20.78%
    Sweet-like 20.61%
    Nitrile 20.58%
    Scallion 20.41%
    Rotten 20.34%
    Indole 20.29%
    Flat 20.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.34 (weak base)

    Molecular weight
    197.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 135 to 138 °F (NTP, 1992)
    • 62 °C

    Boiling point

    • 478 to 480 °F at 760 mmHg (NTP, 1992)
    • 248-253 °C

    Flash point

    • 111.06 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 61 °F (NTP, 1992)
    • Solubility in water: poor

  • Synonyms

    • 2,3,5-TRICHLOROPHENOL
    • 933-78-8
    • Phenol, 2,3,5-trichloro-
    • CCRIS 6109
    • EINECS 213-272-2
    • 6T7DUC2C8B
    • DTXSID0026208
    • 2,3,5-trichlorphenol
    • DTXCID206208
    • TRICHLOROPHENOL, 2,3,5-
    • 2,3,5-Trichlorophenol 10 microg/mL in Isooctane
    • Phenol,2,3,5-trichloro-
    • Phenol, 2,3,5-trichloro-; 2,3,5-Trichlorophenol
    • UNII-6T7DUC2C8B
    • MLS002415681
    • SCHEMBL591469
    • CHEMBL1569358
    • HMS3039J12
    • 1-Hydroxy-2,3,5-trichlorobenzene
    • Tox21_200624
    • CL8455
    • AKOS006228272
    • CS-W021014
    • DS-9219
    • NCGC00091770-01
    • NCGC00091770-02
    • NCGC00091770-03
    • NCGC00258178-01
    • CAS-933-78-8
    • SMR001370875
    • 2,3,5-Trichlorophenol, analytical standard
    • DB-010879
    • NS00002389
    • 2,3,5-Trichlorophenol 100 microg/mL in Methanol
    • Q2682869
    • InChI=1/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10
    • 213-272-2

  • Applications

    2,3,5-Trichlorophenol is commonly used as a chemical intermediate in the synthesis of chlorinated phenolic derivatives, providing a reactive building block for specialty chemicals. In practice, it is used in industrial manufacturing for dyes and pigments, biocidal formulations, and wood-preservation products, and may also serve as a precursor for coatings and inks, reflecting its role as a chlorinated phenol core in various application areas.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 186.98
    methanol 158.41
    isopropanol 154.42
    water 0.93
    ethyl acetate 190.62
    n-propanol 164.32
    acetone 230.51
    n-butanol 154.48
    acetonitrile 80.06
    DMF 327.02
    toluene 40.2
    isobutanol 124.07
    1,4-dioxane 310.07
    methyl acetate 166.11
    THF 764.35
    2-butanone 212.42
    n-pentanol 157.28
    sec-butanol 150.28
    n-hexane 19.04
    ethylene glycol 69.94
    NMP 300.08
    cyclohexane 11.66
    DMSO 314.99
    n-butyl acetate 193.3
    n-octanol 84.9
    chloroform 99.15
    n-propyl acetate 185.39
    acetic acid 123.02
    dichloromethane 85.31
    cyclohexanone 202.94
    propylene glycol 72.36
    isopropyl acetate 165.15
    DMAc 264.65
    2-ethoxyethanol 336.36
    isopentanol 139.22
    n-heptane 34.76
    ethyl formate 123.81
    1,2-dichloroethane 82.56
    n-hexanol 145.19
    2-methoxyethanol 391.05
    isobutyl acetate 124.93
    tetrachloromethane 20.5
    n-pentyl acetate 136.48
    transcutol 697.01
    n-heptanol 85.35
    ethylbenzene 33.72
    MIBK 173.44
    2-propoxyethanol 347.77
    tert-butanol 201.28
    MTBE 205.92
    2-butoxyethanol 187.54
    propionic acid 93.04
    o-xylene 41.07
    formic acid 65.44
    diethyl ether 222.63
    m-xylene 49.62
    p-xylene 42.72
    chlorobenzene 44.76
    dimethyl carbonate 116.75
    n-octane 13.75
    formamide 120.38
    cyclopentanone 271.49
    2-pentanone 226.41
    anisole 150.0
    cyclopentyl methyl ether 275.84
    gamma-butyrolactone 297.4
    1-methoxy-2-propanol 353.65
    pyridine 111.85
    3-pentanone 152.71
    furfural 245.92
    n-dodecane 11.35
    diethylene glycol 297.02
    diisopropyl ether 107.38
    tert-amyl alcohol 182.88
    acetylacetone 269.02
    n-hexadecane 12.71
    acetophenone 132.32
    methyl propionate 165.7
    isopentyl acetate 171.89
    trichloroethylene 133.82
    n-nonanol 83.76
    cyclohexanol 126.36
    benzyl alcohol 113.86
    2-ethylhexanol 110.7
    isooctanol 77.67
    dipropyl ether 185.9
    1,2-dichlorobenzene 48.62
    ethyl lactate 114.79
    propylene carbonate 172.66
    n-methylformamide 164.89
    2-pentanol 141.68
    n-pentane 22.79
    1-propoxy-2-propanol 283.16
    1-methoxy-2-propyl acetate 259.84
    2-(2-methoxypropoxy) propanol 218.54
    mesitylene 42.59
    ε-caprolactone 216.66
    p-cymene 58.8
    epichlorohydrin 344.12
    1,1,1-trichloroethane 80.38
    2-aminoethanol 109.93
    morpholine-4-carbaldehyde 368.11
    sulfolane 320.59
    2,2,4-trimethylpentane 18.81
    2-methyltetrahydrofuran 369.66
    n-hexyl acetate 150.55
    isooctane 20.03
    2-(2-butoxyethoxy)ethanol 289.26
    sec-butyl acetate 149.5
    tert-butyl acetate 225.87
    decalin 14.99
    glycerin 114.25
    diglyme 437.0
    acrylic acid 81.08
    isopropyl myristate 95.39
    n-butyric acid 132.19
    acetyl acetate 124.49
    di(2-ethylhexyl) phthalate 74.69
    ethyl propionate 158.67
    nitromethane 227.89
    1,2-diethoxyethane 316.75
    benzonitrile 87.93
    trioctyl phosphate 62.67
    1-bromopropane 73.37
    gamma-valerolactone 387.0
    n-decanol 69.14
    triethyl phosphate 98.43
    4-methyl-2-pentanol 111.17
    propionitrile 84.85
    vinylene carbonate 141.22
    1,1,2-trichlorotrifluoroethane 220.03
    DMS 135.99
    cumene 36.4
    2-octanol 75.3
    2-hexanone 197.84
    octyl acetate 103.63
    limonene 84.93
    1,2-dimethoxyethane 483.62
    ethyl orthosilicate 103.97
    tributyl phosphate 80.93
    diacetone alcohol 264.11
    N,N-dimethylaniline 112.78
    acrylonitrile 88.76
    aniline 79.18
    1,3-propanediol 169.68
    bromobenzene 35.26
    dibromomethane 60.03
    1,1,2,2-tetrachloroethane 116.46
    2-methyl-cyclohexyl acetate 139.47
    tetrabutyl urea 103.37
    diisobutyl methanol 102.47
    2-phenylethanol 133.49
    styrene 38.58
    dioctyl adipate 123.04
    dimethyl sulfate 162.95
    ethyl butyrate 174.82
    methyl lactate 134.39
    butyl lactate 122.58
    diethyl carbonate 115.93
    propanediol butyl ether 177.37
    triethyl orthoformate 146.97
    p-tert-butyltoluene 64.89
    methyl 4-tert-butylbenzoate 157.72
    morpholine 344.6
    tert-butylamine 123.5
    n-dodecanol 57.94
    dimethoxymethane 406.35
    ethylene carbonate 123.43
    cyrene 229.65
    2-ethoxyethyl acetate 204.76
    2-ethylhexyl acetate 142.31
    1,2,4-trichlorobenzene 67.88
    4-methylpyridine 121.44
    dibutyl ether 131.19
    2,6-dimethyl-4-heptanol 102.47
    DEF 227.51
    dimethyl isosorbide 410.68
    tetrachloroethylene 75.26
    eugenol 168.52
    triacetin 166.24
    span 80 173.7
    1,4-butanediol 102.39
    1,1-dichloroethane 78.1
    2-methyl-1-pentanol 136.79
    methyl formate 147.76
    2-methyl-1-butanol 127.53
    n-decane 17.3
    butyronitrile 103.97
    3,7-dimethyl-1-octanol 98.99
    1-chlorooctane 52.7
    1-chlorotetradecane 28.88
    n-nonane 16.17
    undecane 13.61
    tert-butylcyclohexane 19.48
    cyclooctane 8.44
    cyclopentanol 160.72
    tetrahydropyran 261.33
    tert-amyl methyl ether 190.53
    2,5,8-trioxanonane 349.54
    1-hexene 59.64
    2-isopropoxyethanol 259.21
    2,2,2-trifluoroethanol 74.78
    methyl butyrate 180.89

    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