4-Chlorophenol

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  • Identifiers

    CAS number
    106-48-9

    Molecular formula
    C6H5ClO

    SMILES
    C1=CC(=CC=C1O)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 82.8%
    Medicinal 59.17%
    Smoky 45.52%
    Animal 43.39%
    Sweet 39.44%
    Leathery 38.04%
    Burnt 36.22%
    Woody 35.32%
    Musty 33.76%
    Spicy 30.62%

     

    Flavor
    Phenolic 62.37%
    Medicinal 37.02%
    Mild 35.46%
    Meaty 30.76%
    Phenol 29.55%
    Medical 24.91%
    Smoke 24.59%
    Sulfurous 23.79%
    Penetrating 23.65%
    Bitter 22.84%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold Low: 1.2 [mmHg]. [Hawley] Odor threshold (recognition) from CHEMINFO
    • 30 ppm
    • Odor detection in air: 1.8x10-4 mg/L (gas), in water: 1.24 ppm, chemically pure /Chlorophenol/
    • 0.03 ug/L 30 °C in water
    • 250 ug/L 25 °C in water

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.17 (weak base)

    Molecular weight
    128.55 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 109.8 to 110.7 °F (NTP, 1992)
    • 42.8 °C
    • 43 °C

    Boiling point

    • 428 °F at 760 mmHg (NTP, 1992)
    • 220 °C

    Flash point

    • 101.68 ˚C est.
    • 250 °F (NTP, 1992)
    • 121 °C
    • 121 °C (250 °F) CLOSED CUP
    • 121 °C c.c.

    Solubility expt.

    • 10 to 50 mg/mL at 59 °F (NTP, 1992)
    • 2.71 PARTS SOL IN 100 PARTS WATER @ 20 °C
    • Very sol in alc, glycerin, ether, chloroform, fixed and volatile oils; sparingly sol in liquid petroleum
    • Very sol in ethanol, benzene, ethyl ether; soluble in alkali
    • Soluble in aqueous alkali, oxygenated and aromatic solvents
    • In water, 2.40X10+4 mg/L at 25 °C
    • Solubility in water, g/100ml at 20 °C: 2.7

  • Synonyms

    • 4-CHLOROPHENOL
    • 106-48-9
    • p-Chlorophenol
    • parachlorophenol
    • Phenol, 4-chloro-
    • 4-Hydroxychlorobenzene
    • Phenol, p-chloro-
    • 4-Monochlorophenol
    • 4-Chlorphenol
    • Applied 3-78
    • p-Chlorophenic acid
    • p-Chlorfenol
    • 4-Chloro-1-hydroxybenzene
    • p-Chlorfenol [Czech]
    • 4-chloro-phenol
    • NSC 2877
    • MFCD00002318
    • 3DLC36A01X
    • DTXSID1021871
    • p-Chlorophenol, solid
    • CHEBI:28078
    • p-Chlorophenol, liquid
    • NSC-2877
    • P-CHLOROPHENOL [MI]
    • Parachlorophenol (JAN/USP)
    • PARACHLOROPHENOL [JAN]
    • PARACHLOROPHENOL [HSDB]
    • DTXCID201871
    • PARACHLOROPHENOL [VANDF]
    • PARACHLOROPHENOL [MART.]
    • 4-CHLORPHENOL [WHO-DD]
    • PARACHLOROPHENOL [USP-RS]
    • NSC2877
    • PARACHLOROPHENOL [USP MONOGRAPH]
    • NCGC00090814-01
    • CHLOROPHENOLS, (SOLID)
    • CHLOROPHENOLS, [SOLID]
    • PARACHLOROPHENOL (MART.)
    • p-Chlorophenol, liquid [UN2021] [Keep away from food]
    • p-Chlorophenol, solid [UN2020] [Keep away from food]
    • PARACHLOROPHENOL (USP-RS)
    • Parachlorophenol [USP]
    • 4-chlorophenoxide
    • PARACHLOROPHENOL (USP MONOGRAPH)
    • CAS-106-48-9
    • CCRIS 642
    • para-monochlorophenol
    • HSDB 1414
    • EINECS 203-402-6
    • UNII-3DLC36A01X
    • 4chlorophenol
    • PChlorophenol
    • p-chloro-phenol
    • AI3-19422
    • Phenol, pchloro
    • para-chlorophenol
    • parachloro phenol
    • 4Monochlorophenol
    • 4-chloro phenol
    • Phenol, 4chloro
    • pChlorophenic acid
    • 4CH
    • 4Hydroxychlorobenzene
    • Chlorophenols, solid
    • Applied 378
    • 4Chloro1hydroxybenzene
    • Spectrum_000939
    • Spectrum2_000968
    • Spectrum3_000539
    • Spectrum4_000468
    • Spectrum5_001228
    • WLN: QR DG
    • CHLOROPHENOL, SOLID
    • 4-ClC6H4OH
    • bmse000461
    • EC 203-402-6
    • 4-Chlorophenol, >=99%
    • SCHEMBL28864
    • BSPBio_002157
    • KBioGR_000916
    • KBioSS_001419
    • MLS002454432
    • BIDD:ER0011
    • CHEMBL57053
    • DivK1c_000310
    • P-CHLOROPHENOL [INCI]
    • SPECTRUM1500460
    • SPBio_000975
    • BDBM36299
    • HMS500P12
    • KBio1_000310
    • KBio2_001419
    • KBio2_003987
    • KBio2_006555
    • KBio3_001657
    • NINDS_000310
    • HMS1920F08
    • HMS2091N08
    • HMS2230B13
    • HMS3373O02
    • Pharmakon1600-01500460
    • Tox21_111028
    • Tox21_201704
    • Tox21_302860
    • 2,4-D TP3
    • CCG-40184
    • NSC757263
    • STL194293
    • 4-Chlorophenol, for synthesis, 98%
    • AKOS000118967
    • Tox21_111028_1
    • DB13154
    • FC11718
    • NSC-757263
    • RP10020
    • IDI1_000310
    • NCGC00090814-02
    • NCGC00090814-03
    • NCGC00090814-04
    • NCGC00090814-05
    • NCGC00090814-07
    • NCGC00256497-01
    • NCGC00259253-01
    • 4-Chlorophenol 10 microg/mL in Methanol
    • SMR001252242
    • 4-Chlorophenol 100 microg/mL in Methanol
    • SBI-0051474.P003
    • DB-028832

  • Applications

    4-Chlorophenol (CAS 106-48-9) is primarily used as an industrial intermediate for the synthesis of agrochemicals (including herbicides, fungicides, and insecticides), as a building block for dyes and pigments, and as a precursor for specialty chemicals used in coatings, inks, and polymer formulations. It can also serve as a starting material in the preparation of other chlorinated phenol derivatives, with use typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.92
    methanol 91.33
    isopropanol 60.26
    water 1.42
    ethyl acetate 55.66
    n-propanol 73.26
    acetone 55.88
    n-butanol 55.72
    acetonitrile 59.55
    DMF 81.84
    toluene 7.64
    isobutanol 41.4
    1,4-dioxane 86.92
    methyl acetate 101.55
    THF 100.45
    2-butanone 101.1
    n-pentanol 53.89
    sec-butanol 74.8
    n-hexane 1.27
    ethylene glycol 23.88
    NMP 31.73
    cyclohexane 0.69
    DMSO 46.69
    n-butyl acetate 52.49
    n-octanol 38.73
    chloroform 34.6
    n-propyl acetate 57.31
    acetic acid 55.2
    dichloromethane 26.33
    cyclohexanone 31.87
    propylene glycol 32.67
    isopropyl acetate 38.65
    DMAc 157.74
    2-ethoxyethanol 126.75
    isopentanol 53.27
    n-heptane 3.2
    ethyl formate 40.4
    1,2-dichloroethane 18.91
    n-hexanol 54.86
    2-methoxyethanol 133.14
    isobutyl acetate 38.54
    tetrachloromethane 7.64
    n-pentyl acetate 41.08
    transcutol 304.92
    n-heptanol 38.71
    ethylbenzene 14.92
    MIBK 39.24
    2-propoxyethanol 108.92
    tert-butanol 82.49
    MTBE 79.27
    2-butoxyethanol 88.47
    propionic acid 49.73
    o-xylene 11.96
    formic acid 33.61
    diethyl ether 40.42
    m-xylene 9.81
    p-xylene 18.76
    chlorobenzene 10.4
    dimethyl carbonate 23.23
    n-octane 2.15
    formamide 78.27
    cyclopentanone 43.35
    2-pentanone 41.53
    anisole 70.77
    cyclopentyl methyl ether 25.92
    gamma-butyrolactone 51.19
    1-methoxy-2-propanol 94.1
    pyridine 54.96
    3-pentanone 32.36
    furfural 67.44
    n-dodecane 2.63
    diethylene glycol 82.12
    diisopropyl ether 13.04
    tert-amyl alcohol 99.12
    acetylacetone 54.24
    n-hexadecane 2.78
    acetophenone 55.56
    methyl propionate 42.13
    isopentyl acetate 59.1
    trichloroethylene 51.77
    n-nonanol 34.86
    cyclohexanol 19.36
    benzyl alcohol 44.24
    2-ethylhexanol 37.48
    isooctanol 33.7
    dipropyl ether 31.47
    1,2-dichlorobenzene 13.8
    ethyl lactate 32.02
    propylene carbonate 32.68
    n-methylformamide 55.93
    2-pentanol 38.47
    n-pentane 1.03
    1-propoxy-2-propanol 77.46
    1-methoxy-2-propyl acetate 64.83
    2-(2-methoxypropoxy) propanol 98.6
    mesitylene 7.4
    ε-caprolactone 44.62
    p-cymene 17.52
    epichlorohydrin 83.47
    1,1,1-trichloroethane 26.8
    2-aminoethanol 53.12
    morpholine-4-carbaldehyde 88.28
    sulfolane 37.89
    2,2,4-trimethylpentane 2.59
    2-methyltetrahydrofuran 60.36
    n-hexyl acetate 56.19
    isooctane 1.97
    2-(2-butoxyethoxy)ethanol 122.71
    sec-butyl acetate 45.22
    tert-butyl acetate 58.33
    decalin 2.31
    glycerin 44.27
    diglyme 218.78
    acrylic acid 40.14
    isopropyl myristate 27.96
    n-butyric acid 45.82
    acetyl acetate 32.86
    di(2-ethylhexyl) phthalate 25.01
    ethyl propionate 39.53
    nitromethane 95.35
    1,2-diethoxyethane 92.5
    benzonitrile 35.72
    trioctyl phosphate 18.56
    1-bromopropane 11.85
    gamma-valerolactone 80.32
    n-decanol 27.08
    triethyl phosphate 25.46
    4-methyl-2-pentanol 30.0
    propionitrile 50.3
    vinylene carbonate 34.81
    1,1,2-trichlorotrifluoroethane 76.03
    DMS 38.25
    cumene 15.5
    2-octanol 28.79
    2-hexanone 64.69
    octyl acetate 34.07
    limonene 17.94
    1,2-dimethoxyethane 173.17
    ethyl orthosilicate 27.12
    tributyl phosphate 22.01
    diacetone alcohol 84.97
    N,N-dimethylaniline 52.43
    acrylonitrile 56.71
    aniline 24.32
    1,3-propanediol 68.34
    bromobenzene 7.7
    dibromomethane 13.57
    1,1,2,2-tetrachloroethane 38.11
    2-methyl-cyclohexyl acetate 42.07
    tetrabutyl urea 31.5
    diisobutyl methanol 26.08
    2-phenylethanol 54.5
    styrene 14.67
    dioctyl adipate 39.37
    dimethyl sulfate 30.25
    ethyl butyrate 44.18
    methyl lactate 31.51
    butyl lactate 38.92
    diethyl carbonate 32.61
    propanediol butyl ether 78.93
    triethyl orthoformate 35.88
    p-tert-butyltoluene 17.88
    methyl 4-tert-butylbenzoate 57.51
    morpholine 102.54
    tert-butylamine 38.77
    n-dodecanol 20.86
    dimethoxymethane 67.91
    ethylene carbonate 25.45
    cyrene 61.27
    2-ethoxyethyl acetate 69.76
    2-ethylhexyl acetate 42.89
    1,2,4-trichlorobenzene 20.41
    4-methylpyridine 42.93
    dibutyl ether 41.93
    2,6-dimethyl-4-heptanol 26.08
    DEF 48.29
    dimethyl isosorbide 126.02
    tetrachloroethylene 25.34
    eugenol 76.62
    triacetin 59.43
    span 80 61.61
    1,4-butanediol 32.0
    1,1-dichloroethane 20.98
    2-methyl-1-pentanol 58.67
    methyl formate 38.79
    2-methyl-1-butanol 52.6
    n-decane 3.93
    butyronitrile 42.22
    3,7-dimethyl-1-octanol 41.93
    1-chlorooctane 16.5
    1-chlorotetradecane 7.7
    n-nonane 3.51
    undecane 3.12
    tert-butylcyclohexane 3.8
    cyclooctane 0.52
    cyclopentanol 22.2
    tetrahydropyran 44.51
    tert-amyl methyl ether 62.42
    2,5,8-trioxanonane 159.66
    1-hexene 9.4
    2-isopropoxyethanol 96.42
    2,2,2-trifluoroethanol 28.29
    methyl butyrate 52.2

    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