2,5-Dichlorophenol

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  • Identifiers

    CAS number
    583-78-8

    Molecular formula
    C6H4Cl2O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 69.64%
    Smoky 42.79%
    Burnt 40.51%
    Medicinal 39.19%
    Spicy 34.6%
    Odorless 33.38%
    Woody 29.72%
    Sweet 28.07%
    Animal 27.03%
    Meaty 25.17%

     

    Flavor
    Bitter 49.79%
    Mild 33.86%
    Phenolic 30.6%
    Odorless 27.27%
    Meaty 23.44%
    Very strong 21.23%
    Penetrating 21.2%
    Flat 20.89%
    Indole 20.74%
    Nitrile 20.68%

     

    Odor impact est.
    High

    Odor threshold

    • In water 33 ug/L at 30 °C.
    • In water 30 ug/L at 20-22 °C.

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.37 (weak base)

    Molecular weight
    163.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 133 to 136 °F (NTP, 1992)
    • 59 °C

    Boiling point

    • 412 °F at 760 mmHg (NTP, 1992)
    • 211 °C
    • at 99.2kPa: 211 °C

    Flash point

    • 98.62 ˚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, 2,000 mg/L at 25 °C
    • 2 mg/mL at 25 °C
    • Solubility in water, g/100ml: 0.2 (poor)

  • Synonyms

    • 2,5-dichlorophenol
    • 583-78-8
    • Phenol, 2,5-dichloro-
    • 2,5-DCP
    • 3,6-dichlorophenol
    • 2,5-dichloro-phenol
    • CCRIS 5903
    • HSDB 4287
    • UNII-3B11G9AKBA
    • NSC 6296
    • EINECS 209-520-4
    • 3B11G9AKBA
    • BRN 1907692
    • DTXSID7025003
    • CHEBI:27929
    • NSC-6296
    • MFCD00002174
    • DICHLOROPHENOL, 2,5-
    • DTXCID705003
    • EC 209-520-4
    • 2,5-DICHLOROPHENOL [HSDB]
    • 4-06-00-00942 (Beilstein Handbook Reference)
    • CAS-583-78-8
    • Phenol, 2,5-dichloro-; 2,5-Dichlorophenol; NSC 6296
    • Phenol, 2,5dichloro
    • 1Hydroxy2,5dichlorobenzene
    • 2,5-Dichlorohydroxybenzene
    • bmse000673
    • 2,5-Dichlorophenol, 98%
    • BIDD:ER0560
    • SCHEMBL177878
    • 1-Hydroxy-2,5-dichlorobenzene
    • 2,5DCP
    • CHEMBL1565192
    • NSC6296
    • Tox21_201889
    • Tox21_303053
    • STL283946
    • AKOS000120929
    • 2,5-Dichlorophenol (ACD/Name 4.0)
    • CS-W004071
    • NCGC00091138-01
    • NCGC00091138-02
    • NCGC00091138-03
    • NCGC00257078-01
    • NCGC00259438-01
    • AC-10424
    • DB-053197
    • D0393
    • NS00008731
    • 2,5-Dichlorophenol 10 microg/mL in Methanol
    • EN300-20748
    • 2,5-Dichlorophenol 100 microg/mL in Methanol
    • A10797
    • C06602
    • 2,5-Dichlorophenol, PESTANAL(R), analytical standard
    • Q13427538
    • F0001-1524
    • Z104480932
    • 209-520-4

  • Applications

    2,5-Dichlorophenol (CAS 583-78-8) is used primarily as an industrial building block and intermediate in the synthesis of various specialty chemicals. In agrochemical manufacturing, it serves as a precursor for herbicides and insecticides. In the dye and pigment sector, it is employed as a starting material for chlorinated aryl compounds used in some dyes. In the polymers and coatings industries, it acts as an intermediate for specialty resins and formulated coatings or inks. In pharmaceutical manufacturing, it may be used to access pharmaceutical intermediates, subject to formulation routes and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.52
    methanol 44.38
    isopropanol 49.49
    water 0.62
    ethyl acetate 54.74
    n-propanol 57.81
    acetone 70.59
    n-butanol 53.25
    acetonitrile 21.39
    DMF 99.51
    toluene 12.05
    isobutanol 41.3
    1,4-dioxane 117.89
    methyl acetate 63.66
    THF 216.23
    2-butanone 85.47
    n-pentanol 61.46
    sec-butanol 60.3
    n-hexane 3.84
    ethylene glycol 16.94
    NMP 97.96
    cyclohexane 2.38
    DMSO 73.36
    n-butyl acetate 78.84
    n-octanol 38.19
    chloroform 39.0
    n-propyl acetate 74.21
    acetic acid 45.04
    dichloromethane 29.23
    cyclohexanone 74.93
    propylene glycol 19.93
    isopropyl acetate 57.66
    DMAc 144.48
    2-ethoxyethanol 127.63
    isopentanol 52.98
    n-heptane 10.72
    ethyl formate 39.88
    1,2-dichloroethane 26.38
    n-hexanol 57.41
    2-methoxyethanol 115.98
    isobutyl acetate 52.25
    tetrachloromethane 9.31
    n-pentyl acetate 63.12
    transcutol 394.66
    n-heptanol 42.35
    ethylbenzene 12.4
    MIBK 64.93
    2-propoxyethanol 126.75
    tert-butanol 78.19
    MTBE 86.43
    2-butoxyethanol 92.66
    propionic acid 36.06
    o-xylene 17.21
    formic acid 25.19
    diethyl ether 61.91
    m-xylene 16.67
    p-xylene 18.28
    chlorobenzene 14.39
    dimethyl carbonate 31.39
    n-octane 4.47
    formamide 54.6
    cyclopentanone 90.51
    2-pentanone 69.76
    anisole 63.94
    cyclopentyl methyl ether 73.99
    gamma-butyrolactone 97.58
    1-methoxy-2-propanol 103.7
    pyridine 43.68
    3-pentanone 51.38
    furfural 91.97
    n-dodecane 3.94
    diethylene glycol 96.57
    diisopropyl ether 35.16
    tert-amyl alcohol 88.02
    acetylacetone 93.66
    n-hexadecane 4.4
    acetophenone 60.66
    methyl propionate 46.96
    isopentyl acetate 73.45
    trichloroethylene 58.96
    n-nonanol 38.01
    cyclohexanol 37.7
    benzyl alcohol 45.48
    2-ethylhexanol 48.39
    isooctanol 39.25
    dipropyl ether 67.08
    1,2-dichlorobenzene 18.25
    ethyl lactate 47.47
    propylene carbonate 58.76
    n-methylformamide 49.82
    2-pentanol 51.67
    n-pentane 3.93
    1-propoxy-2-propanol 109.8
    1-methoxy-2-propyl acetate 101.21
    2-(2-methoxypropoxy) propanol 125.75
    mesitylene 15.47
    ε-caprolactone 85.56
    p-cymene 25.04
    epichlorohydrin 111.48
    1,1,1-trichloroethane 31.02
    2-aminoethanol 34.85
    morpholine-4-carbaldehyde 148.83
    sulfolane 103.42
    2,2,4-trimethylpentane 6.4
    2-methyltetrahydrofuran 118.45
    n-hexyl acetate 71.44
    isooctane 5.91
    2-(2-butoxyethoxy)ethanol 149.21
    sec-butyl acetate 63.88
    tert-butyl acetate 92.47
    decalin 4.55
    glycerin 35.77
    diglyme 248.96
    acrylic acid 32.13
    isopropyl myristate 42.64
    n-butyric acid 49.53
    acetyl acetate 41.78
    di(2-ethylhexyl) phthalate 37.02
    ethyl propionate 58.09
    nitromethane 86.48
    1,2-diethoxyethane 141.08
    benzonitrile 33.29
    trioctyl phosphate 28.78
    1-bromopropane 19.51
    gamma-valerolactone 144.24
    n-decanol 30.6
    triethyl phosphate 44.59
    4-methyl-2-pentanol 43.92
    propionitrile 25.85
    vinylene carbonate 49.61
    1,1,2-trichlorotrifluoroethane 96.67
    DMS 59.42
    cumene 15.02
    2-octanol 34.17
    2-hexanone 84.61
    octyl acetate 46.26
    limonene 35.93
    1,2-dimethoxyethane 196.54
    ethyl orthosilicate 48.6
    tributyl phosphate 36.85
    diacetone alcohol 116.7
    N,N-dimethylaniline 53.21
    acrylonitrile 29.2
    aniline 27.99
    1,3-propanediol 55.43
    bromobenzene 11.17
    dibromomethane 18.06
    1,1,2,2-tetrachloroethane 53.23
    2-methyl-cyclohexyl acetate 66.1
    tetrabutyl urea 49.44
    diisobutyl methanol 43.04
    2-phenylethanol 56.74
    styrene 12.96
    dioctyl adipate 59.14
    dimethyl sulfate 52.9
    ethyl butyrate 73.36
    methyl lactate 42.1
    butyl lactate 58.7
    diethyl carbonate 47.33
    propanediol butyl ether 79.02
    triethyl orthoformate 66.84
    p-tert-butyltoluene 27.52
    methyl 4-tert-butylbenzoate 80.46
    morpholine 128.07
    tert-butylamine 45.34
    n-dodecanol 25.31
    dimethoxymethane 101.8
    ethylene carbonate 42.03
    cyrene 110.52
    2-ethoxyethyl acetate 92.52
    2-ethylhexyl acetate 61.27
    1,2,4-trichlorobenzene 28.17
    4-methylpyridine 43.9
    dibutyl ether 56.41
    2,6-dimethyl-4-heptanol 43.04
    DEF 82.23
    dimethyl isosorbide 203.06
    tetrachloroethylene 34.71
    eugenol 86.97
    triacetin 91.67
    span 80 88.46
    1,4-butanediol 33.68
    1,1-dichloroethane 25.77
    2-methyl-1-pentanol 62.98
    methyl formate 37.91
    2-methyl-1-butanol 50.49
    n-decane 6.02
    butyronitrile 30.44
    3,7-dimethyl-1-octanol 47.58
    1-chlorooctane 21.91
    1-chlorotetradecane 11.28
    n-nonane 5.43
    undecane 4.74
    tert-butylcyclohexane 6.87
    cyclooctane 2.04
    cyclopentanol 45.07
    tetrahydropyran 81.43
    tert-amyl methyl ether 83.03
    2,5,8-trioxanonane 208.23
    1-hexene 16.21
    2-isopropoxyethanol 106.92
    2,2,2-trifluoroethanol 31.75
    methyl butyrate 69.1

    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