2,6-Dichlorophenol

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  • Identifiers

    CAS number
    87-65-0

    Molecular formula
    C6H4Cl2O

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

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 66.08%
    Smoky 47.56%
    Burnt 45.97%
    Medicinal 39.44%
    Spicy 35.12%
    Odorless 31.49%
    Meaty 27.57%
    Vanilla 25.69%
    Sweet 25.3%
    Woody 23.16%

     

    Flavor
    Bitter 45.02%
    Mild 31.65%
    Phenolic 28.98%
    Meaty 28.02%
    Odorless 24.67%
    Sulfurous 22.02%
    Penetrating 20.6%
    Very strong 20.55%
    Smoked 20.45%
    Indole 20.13%

     

    Odor impact est.
    Medium

    Odor threshold

    • In water 102 ug/L (mean value calculated from reported odor thresholds in other literature)
    • Odor Threshold: Detection: 0.003 mg/kg; 0.0075 mg/kg; 0.2 mg/kg

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.82 (neutral)

    Molecular weight
    163.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 154 to 156 °F (NTP, 1992)
    • 68.5 °C

    Boiling point

    • 424 to 428 °F at 760 mmHg (NTP, 1992)
    • 220 °C; 92 °C at 4 mm Hg

    Flash point

    • 87.58 ˚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, 2.65X10+3 mg/l at 25 °C
    • In water, 1,900 mg/L at 25 °C

  • Synonyms

    • 2,6-DICHLOROPHENOL
    • 87-65-0
    • Phenol, 2,6-dichloro-
    • 2,6-Dichlorfenol
    • RCRA waste number U082
    • 2,6-dichloro-phenol
    • 2,6-Dichlorfenol [Czech]
    • CCRIS 2511
    • Dichlorophenol, 2,6-
    • HSDB 4240
    • 2,6-Dichlorophenol (2,6-DCP)
    • EINECS 201-761-3
    • UNII-Q7E9K52W7E
    • NSC 60647
    • BRN 1447806
    • Q7E9K52W7E
    • DTXSID2025004
    • CHEBI:28457
    • NSC-60647
    • DTXCID105004
    • 2,6-DCP
    • 2,6-DCP, 2,6-Dichlorophenol
    • 2,6-DICHLOROPHENOL [MI]
    • 2,6-DICHLOROPHENOL [HSDB]
    • 4-06-00-00949 (Beilstein Handbook Reference)
    • LOFEXIDINE METABOLITE (2,6 DCP)
    • 2,6-Dichlorophenol 100 microg/mL in Methanol
    • 2,6-dichlorphenol
    • 2,6-DICHLORFENOL (CZECH)
    • 25511-62-0
    • RCRA waste no. U082
    • 2,6-Dichlorophenol; NSC 60647; Phloroglucinol Impurity I
    • 2,6Dichlorfenol
    • DUB
    • 2,6 dichlorophenol
    • 2.6-dichlorophenol
    • Phenol, 2,6dichloro
    • 2,6Dichlorohydroxybenzene
    • WLN: QR BG FG
    • bmse000674
    • SCHEMBL65234
    • 2,6-Dichlorophenol, 98%
    • 2,6-Dichlorophenol, 99%
    • 2,6DCP
    • CHEMBL282597
    • BDBM92753
    • CS-D1414
    • NSC60647
    • STR01713
    • Tox21_200775
    • MFCD00002176
    • STL264123
    • AKOS000120721
    • FD70102
    • CAS-87-65-0
    • NCGC00091304-01
    • NCGC00091304-02
    • NCGC00258329-01
    • AC-10717
    • D0394
    • NS00010666
    • 2,6-Dichlorophenol 10 microg/mL in Methanol
    • EN300-21048
    • C07096
    • 2,6-Dichlorophenol 1000 microg/mL in Methanol
    • Q4596801
    • 2,6-Dichlorophenol, PESTANAL(R), analytical standard
    • Z104486756
    • 201-761-3

  • Applications

    2,6-Dichlorophenol (CAS 87-65-0) is mainly used as a chemical intermediate in the synthesis of agrochemicals (pesticides and herbicides) and as a building block for dyes and pigments. It also serves as a feedstock for specialty polymers and resins, including formulations used in coatings and inks. In addition, it is employed as a precursor to chlorinated phenol derivatives in organic synthesis and may be encountered in research and development settings for creating new chemical products; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 173.79
    methanol 164.69
    isopropanol 121.44
    water 1.11
    ethyl acetate 144.15
    n-propanol 139.95
    acetone 178.12
    n-butanol 129.12
    acetonitrile 46.83
    DMF 236.0
    toluene 18.97
    isobutanol 92.38
    1,4-dioxane 248.6
    methyl acetate 142.36
    THF 449.7
    2-butanone 157.5
    n-pentanol 130.88
    sec-butanol 117.84
    n-hexane 9.25
    ethylene glycol 48.69
    NMP 180.17
    cyclohexane 6.4
    DMSO 212.95
    n-butyl acetate 185.37
    n-octanol 74.18
    chloroform 81.83
    n-propyl acetate 155.45
    acetic acid 120.11
    dichloromethane 71.3
    cyclohexanone 144.78
    propylene glycol 43.52
    isopropyl acetate 116.8
    DMAc 203.57
    2-ethoxyethanol 268.95
    isopentanol 113.66
    n-heptane 20.98
    ethyl formate 102.93
    1,2-dichloroethane 68.12
    n-hexanol 117.68
    2-methoxyethanol 271.23
    isobutyl acetate 93.98
    tetrachloromethane 18.4
    n-pentyl acetate 127.66
    transcutol 802.15
    n-heptanol 79.44
    ethylbenzene 21.4
    MIBK 121.69
    2-propoxyethanol 249.13
    tert-butanol 161.47
    MTBE 154.07
    2-butoxyethanol 176.06
    propionic acid 77.79
    o-xylene 24.0
    formic acid 84.64
    diethyl ether 143.27
    m-xylene 27.43
    p-xylene 27.92
    chlorobenzene 30.58
    dimethyl carbonate 64.46
    n-octane 9.01
    formamide 163.16
    cyclopentanone 192.61
    2-pentanone 153.32
    anisole 97.01
    cyclopentyl methyl ether 160.98
    gamma-butyrolactone 224.1
    1-methoxy-2-propanol 209.76
    pyridine 88.18
    3-pentanone 93.93
    furfural 198.23
    n-dodecane 7.3
    diethylene glycol 192.22
    diisopropyl ether 68.16
    tert-amyl alcohol 150.41
    acetylacetone 185.97
    n-hexadecane 8.05
    acetophenone 92.21
    methyl propionate 109.89
    isopentyl acetate 143.81
    trichloroethylene 131.93
    n-nonanol 72.06
    cyclohexanol 81.19
    benzyl alcohol 79.87
    2-ethylhexanol 89.61
    isooctanol 71.55
    dipropyl ether 125.62
    1,2-dichlorobenzene 34.63
    ethyl lactate 81.91
    propylene carbonate 127.35
    n-methylformamide 137.18
    2-pentanol 108.83
    n-pentane 11.26
    1-propoxy-2-propanol 209.14
    1-methoxy-2-propyl acetate 192.24
    2-(2-methoxypropoxy) propanol 193.25
    mesitylene 25.38
    ε-caprolactone 175.27
    p-cymene 40.07
    epichlorohydrin 252.64
    1,1,1-trichloroethane 56.62
    2-aminoethanol 87.24
    morpholine-4-carbaldehyde 278.44
    sulfolane 221.4
    2,2,4-trimethylpentane 11.37
    2-methyltetrahydrofuran 251.02
    n-hexyl acetate 141.55
    isooctane 11.96
    2-(2-butoxyethoxy)ethanol 277.3
    sec-butyl acetate 112.59
    tert-butyl acetate 164.89
    decalin 8.21
    glycerin 77.06
    diglyme 467.75
    acrylic acid 68.44
    isopropyl myristate 72.54
    n-butyric acid 119.93
    acetyl acetate 89.45
    di(2-ethylhexyl) phthalate 58.37
    ethyl propionate 111.29
    nitromethane 224.96
    1,2-diethoxyethane 296.09
    benzonitrile 63.62
    trioctyl phosphate 50.03
    1-bromopropane 49.3
    gamma-valerolactone 292.7
    n-decanol 57.09
    triethyl phosphate 71.05
    4-methyl-2-pentanol 80.63
    propionitrile 53.84
    vinylene carbonate 106.67
    1,1,2-trichlorotrifluoroethane 170.61
    DMS 107.19
    cumene 24.3
    2-octanol 64.65
    2-hexanone 150.95
    octyl acetate 82.8
    limonene 57.45
    1,2-dimethoxyethane 371.3
    ethyl orthosilicate 76.92
    tributyl phosphate 63.09
    diacetone alcohol 209.42
    N,N-dimethylaniline 75.91
    acrylonitrile 61.41
    aniline 48.46
    1,3-propanediol 138.81
    bromobenzene 23.2
    dibromomethane 46.98
    1,1,2,2-tetrachloroethane 101.99
    2-methyl-cyclohexyl acetate 109.67
    tetrabutyl urea 81.51
    diisobutyl methanol 76.18
    2-phenylethanol 101.56
    styrene 23.51
    dioctyl adipate 97.96
    dimethyl sulfate 95.77
    ethyl butyrate 140.27
    methyl lactate 79.59
    butyl lactate 105.62
    diethyl carbonate 87.37
    propanediol butyl ether 151.84
    triethyl orthoformate 113.16
    p-tert-butyltoluene 42.5
    methyl 4-tert-butylbenzoate 122.7
    morpholine 273.62
    tert-butylamine 94.17
    n-dodecanol 46.28
    dimethoxymethane 231.12
    ethylene carbonate 91.76
    cyrene 157.92
    2-ethoxyethyl acetate 199.36
    2-ethylhexyl acetate 117.28
    1,2,4-trichlorobenzene 47.38
    4-methylpyridine 82.59
    dibutyl ether 108.06
    2,6-dimethyl-4-heptanol 76.18
    DEF 168.72
    dimethyl isosorbide 326.47
    tetrachloroethylene 80.63
    eugenol 139.16
    triacetin 153.24
    span 80 148.85
    1,4-butanediol 80.18
    1,1-dichloroethane 55.92
    2-methyl-1-pentanol 118.06
    methyl formate 113.17
    2-methyl-1-butanol 103.09
    n-decane 11.67
    butyronitrile 68.98
    3,7-dimethyl-1-octanol 84.44
    1-chlorooctane 41.71
    1-chlorotetradecane 20.17
    n-nonane 10.73
    undecane 8.95
    tert-butylcyclohexane 11.82
    cyclooctane 4.59
    cyclopentanol 100.02
    tetrahydropyran 178.78
    tert-amyl methyl ether 130.5
    2,5,8-trioxanonane 346.83
    1-hexene 36.36
    2-isopropoxyethanol 202.77
    2,2,2-trifluoroethanol 68.38
    methyl butyrate 141.49

    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