3,5-Dichlorophenol

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  • Identifiers

    CAS number
    591-35-5

    Molecular formula
    C6H4Cl2O

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 55.11%
    Woody 38.0%
    Fruity 32.15%
    Animal 30.76%
    Burnt 30.63%
    Odorless 28.74%
    Medicinal 28.21%
    Dry 27.09%
    Smoky 25.66%
    Spicy 25.58%

     

    Flavor
    Bitter 47.62%
    Mild 29.58%
    Odorless 27.78%
    Phenolic 27.02%
    Flat 21.52%
    Very strong 21.36%
    Indole 21.17%
    Nitrile 20.95%
    Penetrating 20.93%
    Rotten 20.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.47 (weak base)

    Molecular weight
    163.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 154 °F (NTP, 1992)
    • 68 °C

    Boiling point

    • 451 °F at 760 mmHg (NTP, 1992)
    • 233 °C
    • at 100.9kPa: 233 °C

    Flash point

    • 105.81 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Very soluble in ethanol, ethyl ether; soluble in petroleum ether
    • In water, 5,380 mg/L at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.54 (poor)

  • Synonyms

    • 3,5-DICHLOROPHENOL
    • 591-35-5
    • Phenol, 3,5-dichloro-
    • 3,5-Dichloro-phenol
    • CCRIS 5905
    • HSDB 4265
    • EINECS 209-714-9
    • NSC 60649
    • FG32L88KO9
    • DTXSID2025006
    • CHEBI:88214
    • MFCD00002259
    • NSC-60649
    • DICHLOROPHENOL, 3,5-
    • DTXCID905006
    • 3,5-DICHLOROPHENOL [HSDB]
    • UNII-FG32L88KO9
    • Phenol, 3,5-dichloro-; 3,5-Dichlorophenol; NSC 60649
    • NSC60649
    • 3,5 dichlorophenol
    • Phenol, 3,5dichloro
    • 1Hydroxy3,5dichlorobenzene
    • 3,5-Dichlorohydroxybenzene
    • 3,5-Dichlorophenol, 97%
    • SCHEMBL330662
    • 1-Hydroxy-3,5-dichlorobenzene
    • 3,5DCP
    • CHEMBL314566
    • BDBM92754
    • 3,5-DCP
    • 3,5-Dichlorphenol (3,5-DCP)
    • STR01646
    • Tox21_200931
    • STL497594
    • AKOS000121538
    • CS-W004113
    • PS-3015
    • 3,5-Dichlorophenol, analytical standard
    • NCGC00091417-01
    • NCGC00091417-02
    • NCGC00091417-03
    • NCGC00258485-01
    • AC-10840
    • CAS-591-35-5
    • SY025678
    • A8330
    • D0365
    • NS00001542
    • 3,5-Dichlorophenol 10 microg/mL in Methanol
    • EN300-16608
    • 3,5-Dichlorophenol 100 microg/mL in Methanol
    • AB01101842-03
    • Q2355160
    • 3,5-Dichlorophenol, PESTANAL(R), analytical standard
    • Z56347208
    • 209-714-9

  • Applications

    3,5-Dichlorophenol (CAS 591-35-5) is primarily used as a building block in the synthesis of agrochemicals (herbicides and insecticides) and as a precursor for dye and pigment chemistries. It also serves as a key intermediate in polymer and resin formulations, contributing to specialty monomers and additives for coatings and plastics. In addition, it may be used in the formulation of biocidal agents and wood preservatives, and as a reactive component in coating and ink systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 978.0
    methanol 996.19
    isopropanol 645.73
    water 8.66
    ethyl acetate 468.37
    n-propanol 668.93
    acetone 757.35
    n-butanol 585.74
    acetonitrile 398.47
    DMF 759.62
    toluene 83.19
    isobutanol 470.91
    1,4-dioxane 818.13
    methyl acetate 401.95
    THF 1783.78
    2-butanone 536.16
    n-pentanol 468.98
    sec-butanol 502.46
    n-hexane 49.8
    ethylene glycol 250.91
    NMP 527.08
    cyclohexane 32.97
    DMSO 829.81
    n-butyl acetate 320.58
    n-octanol 230.63
    chloroform 193.18
    n-propyl acetate 358.71
    acetic acid 521.61
    dichloromethane 175.14
    cyclohexanone 459.4
    propylene glycol 295.75
    isopropyl acetate 313.74
    DMAc 464.2
    2-ethoxyethanol 838.71
    isopentanol 436.28
    n-heptane 70.36
    ethyl formate 343.13
    1,2-dichloroethane 176.47
    n-hexanol 407.48
    2-methoxyethanol 1183.61
    isobutyl acetate 245.43
    tetrachloromethane 40.97
    n-pentyl acetate 246.97
    transcutol 1545.96
    n-heptanol 193.61
    ethylbenzene 51.91
    MIBK 348.66
    2-propoxyethanol 846.55
    tert-butanol 588.85
    MTBE 427.17
    2-butoxyethanol 396.19
    propionic acid 309.69
    o-xylene 62.08
    formic acid 272.59
    diethyl ether 643.34
    m-xylene 81.11
    p-xylene 61.19
    chlorobenzene 83.99
    dimethyl carbonate 245.76
    n-octane 27.04
    formamide 365.72
    cyclopentanone 598.57
    2-pentanone 550.96
    anisole 248.84
    cyclopentyl methyl ether 623.82
    gamma-butyrolactone 678.03
    1-methoxy-2-propanol 942.65
    pyridine 249.37
    3-pentanone 314.61
    furfural 480.78
    n-dodecane 25.52
    diethylene glycol 700.07
    diisopropyl ether 189.77
    tert-amyl alcohol 418.96
    acetylacetone 509.28
    n-hexadecane 28.38
    acetophenone 195.84
    methyl propionate 379.38
    isopentyl acetate 276.58
    trichloroethylene 219.55
    n-nonanol 202.85
    cyclohexanol 348.21
    benzyl alcohol 201.59
    2-ethylhexanol 211.65
    isooctanol 162.23
    dipropyl ether 352.09
    1,2-dichlorobenzene 76.43
    ethyl lactate 217.47
    propylene carbonate 381.08
    n-methylformamide 484.82
    2-pentanol 430.52
    n-pentane 64.79
    1-propoxy-2-propanol 577.55
    1-methoxy-2-propyl acetate 408.47
    2-(2-methoxypropoxy) propanol 408.26
    mesitylene 59.3
    ε-caprolactone 462.36
    p-cymene 73.82
    epichlorohydrin 748.95
    1,1,1-trichloroethane 169.48
    2-aminoethanol 394.3
    morpholine-4-carbaldehyde 714.62
    sulfolane 646.37
    2,2,4-trimethylpentane 35.13
    2-methyltetrahydrofuran 859.44
    n-hexyl acetate 328.73
    isooctane 39.41
    2-(2-butoxyethoxy)ethanol 600.45
    sec-butyl acetate 243.31
    tert-butyl acetate 366.04
    decalin 28.24
    glycerin 387.5
    diglyme 864.18
    acrylic acid 255.78
    isopropyl myristate 166.04
    n-butyric acid 432.59
    acetyl acetate 262.78
    di(2-ethylhexyl) phthalate 129.39
    ethyl propionate 296.23
    nitromethane 677.13
    1,2-diethoxyethane 574.51
    benzonitrile 171.93
    trioctyl phosphate 118.0
    1-bromopropane 158.68
    gamma-valerolactone 835.46
    n-decanol 159.66
    triethyl phosphate 135.56
    4-methyl-2-pentanol 242.68
    propionitrile 295.98
    vinylene carbonate 298.56
    1,1,2-trichlorotrifluoroethane 389.03
    DMS 225.75
    cumene 51.05
    2-octanol 164.76
    2-hexanone 387.68
    octyl acetate 200.5
    limonene 116.0
    1,2-dimethoxyethane 936.36
    ethyl orthosilicate 142.57
    tributyl phosphate 146.77
    diacetone alcohol 467.5
    N,N-dimethylaniline 157.93
    acrylonitrile 254.58
    aniline 174.78
    1,3-propanediol 592.98
    bromobenzene 60.37
    dibromomethane 125.7
    1,1,2,2-tetrachloroethane 198.2
    2-methyl-cyclohexyl acetate 204.84
    tetrabutyl urea 175.88
    diisobutyl methanol 159.3
    2-phenylethanol 232.15
    styrene 60.87
    dioctyl adipate 221.41
    dimethyl sulfate 283.21
    ethyl butyrate 264.1
    methyl lactate 272.54
    butyl lactate 221.85
    diethyl carbonate 178.72
    propanediol butyl ether 433.22
    triethyl orthoformate 215.18
    p-tert-butyltoluene 83.9
    methyl 4-tert-butylbenzoate 262.24
    morpholine 962.12
    tert-butylamine 344.31
    n-dodecanol 129.2
    dimethoxymethane 955.49
    ethylene carbonate 279.59
    cyrene 354.53
    2-ethoxyethyl acetate 361.19
    2-ethylhexyl acetate 207.25
    1,2,4-trichlorobenzene 102.97
    4-methylpyridine 251.29
    dibutyl ether 271.42
    2,6-dimethyl-4-heptanol 159.3
    DEF 431.05
    dimethyl isosorbide 648.56
    tetrachloroethylene 110.82
    eugenol 269.0
    triacetin 292.05
    span 80 344.32
    1,4-butanediol 291.87
    1,1-dichloroethane 190.24
    2-methyl-1-pentanol 316.58
    methyl formate 418.49
    2-methyl-1-butanol 411.08
    n-decane 40.87
    butyronitrile 361.56
    3,7-dimethyl-1-octanol 222.33
    1-chlorooctane 116.96
    1-chlorotetradecane 58.3
    n-nonane 39.88
    undecane 31.04
    tert-butylcyclohexane 37.42
    cyclooctane 18.63
    cyclopentanol 440.84
    tetrahydropyran 753.22
    tert-amyl methyl ether 340.58
    2,5,8-trioxanonane 668.2
    1-hexene 140.8
    2-isopropoxyethanol 538.58
    2,2,2-trifluoroethanol 224.52
    methyl butyrate 343.93

    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