3,4-Dichlorophenol

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  • Identifiers

    CAS number
    95-77-2

    Molecular formula
    C6H4Cl2O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 60.92%
    Odorless 35.19%
    Burnt 33.75%
    Smoky 33.14%
    Medicinal 32.05%
    Animal 28.74%
    Spicy 27.36%
    Woody 27.17%
    Sweet 26.2%
    Dry 23.64%

     

    Flavor
    Bitter 52.19%
    Mild 32.96%
    Odorless 28.59%
    Phenolic 26.84%
    Very strong 21.89%
    Meaty 21.75%
    Indole 21.41%
    Scallion 21.23%
    Flat 21.22%
    Nitrile 21.05%

     

    Odor impact est.
    Medium

    Odor threshold

    • In water: 100 ug/l

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.05 (weak base)

    Molecular weight
    163.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 151 to 154 °F (NTP, 1992)
    • 68 °C

    Boiling point

    • 488.3 °F at 767 mmHg (NTP, 1992)
    • 253 °C

    Flash point

    • 105.03 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Very soluble in ethanol, ethyl ether; soluble in benzene, petroleum ether
    • In water, 9,260 mg/L at 25 °C

  • Synonyms

    • 3,4-DICHLOROPHENOL
    • 95-77-2
    • Phenol, 3,4-dichloro-
    • 4,5-Dichlorophenol
    • CCRIS 5904
    • HSDB 4247
    • UNII-070FTM6DVF
    • EINECS 202-450-5
    • 070FTM6DVF
    • NSC 60648
    • BRN 1907693
    • DTXSID7025005
    • NSC-60648
    • DICHLOROPHENOL, 3,4-
    • DTXCID505005
    • CHEBI:34323
    • 3,4-DICHLOROPHENOL [HSDB]
    • 4-06-00-00952 (Beilstein Handbook Reference)
    • MFCD00002258
    • 3,4-DCP
    • Phenol, 3,4-dichloro-; 3,4-Dichlorophenol; 4,5-Dichlorophenol; NSC 60648
    • 3,4dichlorophenol
    • 4,5Dichlorophenol
    • 3,4 dichlorophenol
    • 3, 4-dichlorophenol
    • 3,4-dichloro phenol
    • 3,4-Dichloro-phenol
    • Phenol, 3,4dichloro
    • 3,4-Dichlorophenol, 99%
    • MLS002454371
    • BIDD:ER0233
    • SCHEMBL224868
    • 3,4DCP
    • CHEMBL1549385
    • HMS3039D07
    • NSC60648
    • STR01808
    • Tox21_200675
    • AKOS000119482
    • PS-3014
    • CAS-95-77-2
    • NCGC00091625-01
    • NCGC00091625-02
    • NCGC00258229-01
    • AC-16396
    • SMR001371993
    • DB-021867
    • D0395
    • NS00009988
    • 3,4-Dichlorophenol 10 microg/mL in Methanol
    • EN300-20332
    • 3,4-Dichlorophenol 100 microg/mL in Methanol
    • A15983
    • A928213
    • 3,4-Dichlorophenol, PESTANAL(R), analytical standard
    • Q27115989
    • F0001-2280
    • Z104477762
    • 202-450-5
    • 5JD

  • Applications

    3,4-Dichlorophenol is used primarily as a chemical intermediate in industrial manufacturing, serving as a building block for chlorinated dyes and pigments, and as a precursor for agrochemicals and pharmaceutical intermediates. It is also employed in polymer and resin chemistry as a reactive intermediate for specialty materials, and appears in coatings and inks as a source for colorants and functional additives. Depending on the formulation, it may be evaluated for further agrochemical and pharmaceutical syntheses, with handling and use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.53
    methanol 54.95
    isopropanol 69.68
    water 0.22
    ethyl acetate 90.4
    n-propanol 81.58
    acetone 127.12
    n-butanol 80.84
    acetonitrile 61.47
    DMF 172.5
    toluene 44.27
    isobutanol 64.92
    1,4-dioxane 147.79
    methyl acetate 132.89
    THF 350.18
    2-butanone 173.55
    n-pentanol 80.23
    sec-butanol 110.06
    n-hexane 6.38
    ethylene glycol 17.02
    NMP 109.77
    cyclohexane 4.27
    DMSO 94.18
    n-butyl acetate 116.01
    n-octanol 69.33
    chloroform 75.13
    n-propyl acetate 100.64
    acetic acid 47.74
    dichloromethane 64.54
    cyclohexanone 105.86
    propylene glycol 24.29
    isopropyl acetate 73.0
    DMAc 232.36
    2-ethoxyethanol 142.0
    isopentanol 85.61
    n-heptane 13.19
    ethyl formate 53.55
    1,2-dichloroethane 51.05
    n-hexanol 93.08
    2-methoxyethanol 149.87
    isobutyl acetate 70.68
    tetrachloromethane 16.88
    n-pentyl acetate 79.69
    transcutol 383.15
    n-heptanol 62.47
    ethylbenzene 49.4
    MIBK 90.85
    2-propoxyethanol 164.68
    tert-butanol 124.05
    MTBE 156.33
    2-butoxyethanol 119.54
    propionic acid 41.71
    o-xylene 45.07
    formic acid 16.89
    diethyl ether 94.09
    m-xylene 41.72
    p-xylene 55.47
    chlorobenzene 34.93
    dimethyl carbonate 41.93
    n-octane 7.3
    formamide 45.95
    cyclopentanone 147.82
    2-pentanone 112.03
    anisole 136.95
    cyclopentyl methyl ether 105.82
    gamma-butyrolactone 123.08
    1-methoxy-2-propanol 130.67
    pyridine 99.64
    3-pentanone 85.33
    furfural 128.84
    n-dodecane 8.08
    diethylene glycol 102.09
    diisopropyl ether 40.27
    tert-amyl alcohol 147.86
    acetylacetone 116.48
    n-hexadecane 8.75
    acetophenone 107.52
    methyl propionate 78.05
    isopentyl acetate 116.73
    trichloroethylene 123.86
    n-nonanol 63.82
    cyclohexanol 61.16
    benzyl alcohol 80.47
    2-ethylhexanol 75.63
    isooctanol 56.73
    dipropyl ether 74.87
    1,2-dichlorobenzene 37.28
    ethyl lactate 49.44
    propylene carbonate 67.37
    n-methylformamide 62.92
    2-pentanol 77.73
    n-pentane 6.06
    1-propoxy-2-propanol 127.25
    1-methoxy-2-propyl acetate 118.55
    2-(2-methoxypropoxy) propanol 133.37
    mesitylene 27.86
    ε-caprolactone 109.31
    p-cymene 43.03
    epichlorohydrin 190.72
    1,1,1-trichloroethane 70.54
    2-aminoethanol 41.36
    morpholine-4-carbaldehyde 159.03
    sulfolane 114.46
    2,2,4-trimethylpentane 9.5
    2-methyltetrahydrofuran 200.68
    n-hexyl acetate 106.24
    isooctane 7.4
    2-(2-butoxyethoxy)ethanol 169.0
    sec-butyl acetate 84.98
    tert-butyl acetate 117.67
    decalin 8.84
    glycerin 36.97
    diglyme 278.23
    acrylic acid 35.39
    isopropyl myristate 57.2
    n-butyric acid 58.16
    acetyl acetate 50.3
    di(2-ethylhexyl) phthalate 46.46
    ethyl propionate 79.29
    nitromethane 96.46
    1,2-diethoxyethane 155.44
    benzonitrile 74.82
    trioctyl phosphate 38.09
    1-bromopropane 42.95
    gamma-valerolactone 172.08
    n-decanol 51.34
    triethyl phosphate 49.99
    4-methyl-2-pentanol 58.74
    propionitrile 63.93
    vinylene carbonate 59.62
    1,1,2-trichlorotrifluoroethane 123.1
    DMS 73.06
    cumene 39.4
    2-octanol 54.39
    2-hexanone 123.4
    octyl acetate 65.47
    limonene 56.43
    1,2-dimethoxyethane 246.17
    ethyl orthosilicate 51.89
    tributyl phosphate 43.61
    diacetone alcohol 144.67
    N,N-dimethylaniline 97.13
    acrylonitrile 70.31
    aniline 59.08
    1,3-propanediol 62.31
    bromobenzene 30.54
    dibromomethane 41.34
    1,1,2,2-tetrachloroethane 86.92
    2-methyl-cyclohexyl acetate 81.89
    tetrabutyl urea 67.49
    diisobutyl methanol 52.39
    2-phenylethanol 99.0
    styrene 51.29
    dioctyl adipate 70.4
    dimethyl sulfate 58.91
    ethyl butyrate 91.28
    methyl lactate 46.33
    butyl lactate 64.12
    diethyl carbonate 58.28
    propanediol butyl ether 104.58
    triethyl orthoformate 69.75
    p-tert-butyltoluene 44.92
    methyl 4-tert-butylbenzoate 97.14
    morpholine 181.04
    tert-butylamine 73.15
    n-dodecanol 41.39
    dimethoxymethane 141.83
    ethylene carbonate 45.92
    cyrene 109.55
    2-ethoxyethyl acetate 112.64
    2-ethylhexyl acetate 97.61
    1,2,4-trichlorobenzene 50.39
    4-methylpyridine 108.77
    dibutyl ether 80.79
    2,6-dimethyl-4-heptanol 52.39
    DEF 113.0
    dimethyl isosorbide 203.69
    tetrachloroethylene 57.89
    eugenol 110.55
    triacetin 92.82
    span 80 93.61
    1,4-butanediol 34.33
    1,1-dichloroethane 56.72
    2-methyl-1-pentanol 91.11
    methyl formate 53.96
    2-methyl-1-butanol 87.04
    n-decane 11.74
    butyronitrile 69.5
    3,7-dimethyl-1-octanol 77.11
    1-chlorooctane 40.43
    1-chlorotetradecane 20.24
    n-nonane 10.65
    undecane 9.57
    tert-butylcyclohexane 12.39
    cyclooctane 3.19
    cyclopentanol 69.32
    tetrahydropyran 133.89
    tert-amyl methyl ether 138.53
    2,5,8-trioxanonane 205.59
    1-hexene 35.12
    2-isopropoxyethanol 124.86
    2,2,2-trifluoroethanol 25.7
    methyl butyrate 99.27

    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