2,4,5-Trichlorophenol

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  • Identifiers

    CAS number
    95-95-4

    Molecular formula
    C6H3Cl3O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 50.46%
    Odorless 42.0%
    Burnt 36.19%
    Smoky 31.32%
    Spicy 25.48%
    Medicinal 24.16%
    Animal 21.86%
    Dry 20.68%
    Woody 20.17%
    Meaty 19.46%

     

    Flavor
    Bitter 56.88%
    Odorless 32.56%
    Mild 29.74%
    Very strong 20.52%
    Sweet-like 20.33%
    Scallion 20.21%
    Nitrile 20.2%
    Rotten 20.11%
    Indole 19.93%
    Flat 19.57%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor threshold in water is as follows: 100 ug/l at 30 °C, 1000 ug/l @ 25 °C.

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.59 (neutral)

    Molecular weight
    197.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 154 °F (NTP, 1992)
    • 67 °C

    Boiling point

    • 487 °F at 760 mmHg (NTP, 1992)
    • 262 °C
    • Sublimes. BP: 248 °C at 746 mm Hg; 253 °C at 760 mm Hg; pK (25 °C) 7.37
    • 253 °C

    Flash point

    • 114.51 ˚C est.
    • 133.0 °C (271.4 °F) (Closed cup)
    • 133 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • In water, 1,200 mg/L at 25 °C
    • In water, 8.82X10+2 mg/kg at 25 °C
    • Solubility (g/100 g solvent, 25 °C): 615 acetone; 163 benzene; 51 carbon tetrachloride; 525 ether; 30, 525 denatured alc formula; 615 methanol; 56 liquid petrolatum at 50 °C; 79 soybean oil; 122 toluene
    • Very soluble in ethanol, ethyl ether, benzene; soluble in acetic acid
    • Solubility in water, g/l at 20 °C: 1.2 (poor)

  • Synonyms

    • 2,4,5-TRICHLOROPHENOL
    • 95-95-4
    • Collunosol
    • Dowicide 2
    • Phenol, 2,4,5-trichloro-
    • Preventol I
    • 2,4,5-TCP
    • RCRA waste number U230
    • 2,4,5-Trichloro-phenol
    • NCI-C61187
    • NSC 2266
    • TRICLOFENOL
    • CCRIS 718
    • HSDB 4067
    • Dowcide 2
    • EINECS 202-467-8
    • BRN 0607569
    • DTXSID4024359
    • CHEBI:28520
    • 2,4,5-trichlorphenol
    • UNII-32526637PN
    • Dowicide B (Salt/Mix)
    • NSC-2266
    • DTXCID104359
    • 32526637PN
    • 2,4,5-trichlorophenolate
    • 4-06-00-00962 (Beilstein Handbook Reference)
    • 2,4,5-TRICHLOROPHENOL [MI]
    • 2,4,5-TRICHLOROPHENOL [HSDB]
    • NCGC00091196-01
    • CAS-95-95-4
    • SMR001252270
    • RCRA waste no. U230
    • 2,5-Trichlorophenol
    • 06B - Phenols
    • 18B - Phenols
    • Caswell No. 879
    • 2,4, 5-Trichlorophenol
    • Phenol, 2,4,5trichloro
    • WLN: QR BG CG EG
    • SCHEMBL1338
    • MLS002415687
    • MLS006011479
    • BIDD:ER0686
    • CHEMBL109095
    • 2,4,5-Trichlorophenol, 95%
    • NSC2266
    • 1-Hydroxy-2,4,5-trichlorobenzene
    • 2,4,5TCP
    • STR03605
    • 2.4,5-TRICHLOROPHENIC ACID
    • Tox21_111100
    • Tox21_201545
    • Tox21_300186
    • MFCD00002170
    • ZB0022
    • AKOS000120147
    • EPA Pesticide Chemical Code 064210
    • NCGC00091196-02
    • NCGC00091196-03
    • NCGC00091196-04
    • NCGC00254185-01
    • NCGC00259095-01
    • DB-025353
    • NS00007529
    • T0389
    • EN300-20617
    • C07101
    • 2,4,5-Trichlorophenol 100 microg/mL in Methanol
    • 2,4,5-Trichlorophenol, purum, >=95.0% (GC)
    • Q209173
    • Z104479252
    • 2,4,5-Trichlorophenol, PESTANAL(R), analytical standard
    • 202-467-8

  • Applications

    2,4,5-Trichlorophenol (CAS 95-95-4) is primarily used as an intermediate in the manufacture of compounds for the agricultural sector (pesticides/herbicides) and for industrial dye and pigment derivatives. It is also used as a component in wood preservation formulations and as a biocidal/antimicrobial additive in industrial applications. Additionally, it serves as a precursor for chlorinated phenolic derivatives used in coatings systems and printing inks, and as a starting material for other specialty chemicals in certain manufacturing processes. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.41
    methanol 8.64
    isopropanol 10.69
    water 0.14
    ethyl acetate 18.54
    n-propanol 14.16
    acetone 24.55
    n-butanol 12.87
    acetonitrile 10.48
    DMF 40.78
    toluene 11.24
    isobutanol 10.97
    1,4-dioxane 39.53
    methyl acetate 29.62
    THF 99.75
    2-butanone 38.85
    n-pentanol 17.24
    sec-butanol 20.51
    n-hexane 1.7
    ethylene glycol 3.68
    NMP 34.18
    cyclohexane 1.1
    DMSO 15.37
    n-butyl acetate 31.7
    n-octanol 23.09
    chloroform 15.94
    n-propyl acetate 24.68
    acetic acid 9.06
    dichloromethane 12.61
    cyclohexanone 23.46
    propylene glycol 4.6
    isopropyl acetate 19.7
    DMAc 89.4
    2-ethoxyethanol 37.96
    isopentanol 16.83
    n-heptane 5.02
    ethyl formate 11.64
    1,2-dichloroethane 10.03
    n-hexanol 23.28
    2-methoxyethanol 35.11
    isobutyl acetate 18.61
    tetrachloromethane 5.02
    n-pentyl acetate 29.4
    transcutol 111.65
    n-heptanol 20.75
    ethylbenzene 16.92
    MIBK 25.56
    2-propoxyethanol 47.0
    tert-butanol 22.85
    MTBE 39.96
    2-butoxyethanol 40.23
    propionic acid 7.9
    o-xylene 14.69
    formic acid 4.92
    diethyl ether 21.48
    m-xylene 11.42
    p-xylene 19.73
    chlorobenzene 7.29
    dimethyl carbonate 11.28
    n-octane 2.81
    formamide 13.86
    cyclopentanone 37.18
    2-pentanone 24.88
    anisole 47.49
    cyclopentyl methyl ether 32.16
    gamma-butyrolactone 30.19
    1-methoxy-2-propanol 30.91
    pyridine 29.85
    3-pentanone 21.95
    furfural 32.66
    n-dodecane 2.99
    diethylene glycol 27.52
    diisopropyl ether 13.53
    tert-amyl alcohol 36.45
    acetylacetone 30.44
    n-hexadecane 3.32
    acetophenone 35.37
    methyl propionate 17.96
    isopentyl acetate 36.27
    trichloroethylene 27.94
    n-nonanol 23.21
    cyclohexanol 12.71
    benzyl alcohol 24.27
    2-ethylhexanol 24.17
    isooctanol 19.65
    dipropyl ether 27.7
    1,2-dichlorobenzene 8.93
    ethyl lactate 13.92
    propylene carbonate 15.65
    n-methylformamide 15.07
    2-pentanol 15.09
    n-pentane 1.48
    1-propoxy-2-propanol 38.78
    1-methoxy-2-propyl acetate 38.6
    2-(2-methoxypropoxy) propanol 53.49
    mesitylene 9.03
    ε-caprolactone 28.48
    p-cymene 19.9
    epichlorohydrin 46.36
    1,1,1-trichloroethane 15.55
    2-aminoethanol 8.76
    morpholine-4-carbaldehyde 48.95
    sulfolane 24.95
    2,2,4-trimethylpentane 2.98
    2-methyltetrahydrofuran 54.76
    n-hexyl acetate 34.7
    isooctane 2.22
    2-(2-butoxyethoxy)ethanol 57.65
    sec-butyl acetate 23.86
    tert-butyl acetate 37.85
    decalin 2.72
    glycerin 8.42
    diglyme 106.68
    acrylic acid 7.16
    isopropyl myristate 22.64
    n-butyric acid 10.4
    acetyl acetate 12.98
    di(2-ethylhexyl) phthalate 17.6
    ethyl propionate 19.9
    nitromethane 23.31
    1,2-diethoxyethane 56.74
    benzonitrile 18.2
    trioctyl phosphate 13.5
    1-bromopropane 8.9
    gamma-valerolactone 44.06
    n-decanol 18.66
    triethyl phosphate 17.6
    4-methyl-2-pentanol 15.68
    propionitrile 12.36
    vinylene carbonate 13.61
    1,1,2-trichlorotrifluoroethane 35.56
    DMS 21.53
    cumene 14.9
    2-octanol 19.55
    2-hexanone 34.4
    octyl acetate 23.93
    limonene 23.26
    1,2-dimethoxyethane 78.74
    ethyl orthosilicate 19.79
    tributyl phosphate 14.77
    diacetone alcohol 41.34
    N,N-dimethylaniline 40.08
    acrylonitrile 14.38
    aniline 15.51
    1,3-propanediol 12.01
    bromobenzene 6.31
    dibromomethane 7.76
    1,1,2,2-tetrachloroethane 20.34
    2-methyl-cyclohexyl acetate 33.14
    tetrabutyl urea 25.74
    diisobutyl methanol 20.04
    2-phenylethanol 31.9
    styrene 14.98
    dioctyl adipate 26.74
    dimethyl sulfate 16.49
    ethyl butyrate 26.89
    methyl lactate 12.74
    butyl lactate 22.41
    diethyl carbonate 17.55
    propanediol butyl ether 30.71
    triethyl orthoformate 24.81
    p-tert-butyltoluene 20.91
    methyl 4-tert-butylbenzoate 41.32
    morpholine 45.06
    tert-butylamine 15.7
    n-dodecanol 15.01
    dimethoxymethane 40.59
    ethylene carbonate 9.86
    cyrene 40.56
    2-ethoxyethyl acetate 39.63
    2-ethylhexyl acetate 31.37
    1,2,4-trichlorobenzene 13.56
    4-methylpyridine 29.05
    dibutyl ether 29.43
    2,6-dimethyl-4-heptanol 20.04
    DEF 31.37
    dimethyl isosorbide 90.61
    tetrachloroethylene 14.24
    eugenol 45.82
    triacetin 32.09
    span 80 32.89
    1,4-butanediol 7.24
    1,1-dichloroethane 10.07
    2-methyl-1-pentanol 23.19
    methyl formate 12.47
    2-methyl-1-butanol 17.17
    n-decane 4.65
    butyronitrile 12.71
    3,7-dimethyl-1-octanol 25.61
    1-chlorooctane 13.71
    1-chlorotetradecane 7.25
    n-nonane 4.06
    undecane 3.68
    tert-butylcyclohexane 3.92
    cyclooctane 1.03
    cyclopentanol 15.29
    tetrahydropyran 30.62
    tert-amyl methyl ether 45.72
    2,5,8-trioxanonane 82.86
    1-hexene 8.61
    2-isopropoxyethanol 35.87
    2,2,2-trifluoroethanol 7.76
    methyl butyrate 23.89

    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