4-Chlororesorcinol

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  • Identifiers

    CAS number
    95-88-5

    Molecular formula
    C6H5ClO2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 78.0%
    Medicinal 44.53%
    Odorless 44.21%
    Smoky 43.78%
    Burnt 43.61%
    Spicy 29.06%
    Vanilla 25.39%
    Meaty 23.88%
    Savory 22.16%
    Animal 21.96%

     

    Flavor
    Bitter 58.63%
    Phenolic 46.61%
    Mild 37.42%
    Odorless 27.57%
    Nutty 25.62%
    Medicinal 23.81%
    Medical 22.88%
    Flat 22.78%
    Musty 22.7%
    Meaty 22.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.74 (weak base)

    Molecular weight
    144.55 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    261°C

    Flash point

    • 126.22 ˚C est.

  • Synonyms

    • 4-Chlororesorcinol
    • 95-88-5
    • 4-chlorobenzene-1,3-diol
    • 4-Chlororesorcin
    • p-Chlororesorcinol
    • 1,3-Benzenediol, 4-chloro-
    • 4-Chloro-1,3-benzenediol
    • 6-Chlororesorcinol
    • Resorcinol, 4-chloro-
    • 4-Chloro-1,3-dihydroxybenzene
    • 2,4-Dihydroxychlorobenzene
    • 1,3-Dihydroxy-4-chlorobenzene
    • C.I. 76510
    • MFCD00002273
    • 1-Chloro-2,4-dihydroxybenzene
    • CI 76510
    • NSC-1569
    • NSC-6298
    • 87045U29QJ
    • WLN: QR CQ DG
    • 4-Chlorobenzene-1,3-diol (4-Chlororesorcinol)
    • NSC 1569
    • EINECS 202-462-0
    • BRN 2042864
    • AI3-03873
    • UNII-87045U29QJ
    • 4-chlororesorcine
    • RODOL CRS
    • Phloroglucinol Impurity K
    • COVASTYLE LP-4CLR
    • 4-Chlororesorcinol, 98%
    • Phloroglucinol Impurity 19
    • SCHEMBL33883
    • 4-Chloro-benzene-1,3-diol
    • SCHEMBL3084323
    • SCHEMBL4872080
    • DTXSID8052643
    • SCHEMBL28548508
    • SCHEMBL29353342
    • NSC1569
    • NSC6298
    • MSK000720
    • SBB061264
    • AKOS000121522
    • CS-W016374
    • EBC-154069
    • FC34161
    • HY-W015658
    • AS-12812
    • BP-11746
    • CI-76510
    • SY026641
    • NS00002206
    • ST50823955
    • EN300-21163
    • F19551
    • F208944
    • Q-200461
    • Q27269773
    • F0001-2284
    • Z104493216
    • InChI=1/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9
    • [4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium
    • 95-88-5

  • Applications

    4-Chlororesorcinol (CAS 95-88-5) is primarily used as an organic synthesis intermediate and building block for substituted resorcinol derivatives. It is used in the production of dyes and pigments, in polymer and coating chemistry as a precursor for phenolic resins and crosslinking agents, and as a source of UV-absorbing and antioxidant additives for plastics and coatings. It is also commonly used as an intermediate in pharmaceutical and agrochemical synthesis, and may be considered for use in specialty adhesives and sealants. Handling and use are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.16
    methanol 101.43
    isopropanol 97.2
    water 1.6
    ethyl acetate 45.08
    n-propanol 80.45
    acetone 110.81
    n-butanol 64.88
    acetonitrile 32.2
    DMF 210.57
    toluene 1.75
    isobutanol 58.83
    1,4-dioxane 102.21
    methyl acetate 59.41
    THF 345.63
    2-butanone 92.41
    n-pentanol 61.37
    sec-butanol 81.64
    n-hexane 1.12
    ethylene glycol 44.01
    NMP 114.42
    cyclohexane 0.47
    DMSO 196.75
    n-butyl acetate 41.07
    n-octanol 34.53
    chloroform 1.83
    n-propyl acetate 49.73
    acetic acid 60.07
    dichloromethane 1.34
    cyclohexanone 50.99
    propylene glycol 54.83
    isopropyl acetate 44.03
    DMAc 208.29
    2-ethoxyethanol 131.99
    isopentanol 65.32
    n-heptane 3.37
    ethyl formate 29.14
    1,2-dichloroethane 3.76
    n-hexanol 54.14
    2-methoxyethanol 183.94
    isobutyl acetate 34.88
    tetrachloromethane 1.38
    n-pentyl acetate 33.94
    transcutol 278.2
    n-heptanol 36.29
    ethylbenzene 2.64
    MIBK 64.01
    2-propoxyethanol 129.84
    tert-butanol 167.85
    MTBE 81.81
    2-butoxyethanol 79.22
    propionic acid 48.67
    o-xylene 4.06
    formic acid 41.73
    diethyl ether 41.1
    m-xylene 4.49
    p-xylene 4.32
    chlorobenzene 2.15
    dimethyl carbonate 32.5
    n-octane 1.34
    formamide 91.53
    cyclopentanone 99.16
    2-pentanone 68.39
    anisole 27.39
    cyclopentyl methyl ether 53.69
    gamma-butyrolactone 103.36
    1-methoxy-2-propanol 164.75
    pyridine 14.74
    3-pentanone 40.74
    furfural 63.28
    n-dodecane 1.76
    diethylene glycol 122.48
    diisopropyl ether 20.72
    tert-amyl alcohol 124.42
    acetylacetone 87.34
    n-hexadecane 1.9
    acetophenone 29.51
    methyl propionate 45.67
    isopentyl acetate 42.3
    trichloroethylene 7.45
    n-nonanol 32.67
    cyclohexanol 32.36
    benzyl alcohol 25.45
    2-ethylhexanol 32.97
    isooctanol 32.22
    dipropyl ether 36.72
    1,2-dichlorobenzene 3.14
    ethyl lactate 44.23
    propylene carbonate 50.62
    n-methylformamide 79.91
    2-pentanol 60.87
    n-pentane 1.03
    1-propoxy-2-propanol 97.12
    1-methoxy-2-propyl acetate 70.17
    2-(2-methoxypropoxy) propanol 95.5
    mesitylene 4.93
    ε-caprolactone 53.51
    p-cymene 8.18
    epichlorohydrin 80.18
    1,1,1-trichloroethane 5.56
    2-aminoethanol 75.81
    morpholine-4-carbaldehyde 128.69
    sulfolane 137.21
    2,2,4-trimethylpentane 2.36
    2-methyltetrahydrofuran 102.06
    n-hexyl acetate 47.43
    isooctane 2.59
    2-(2-butoxyethoxy)ethanol 119.28
    sec-butyl acetate 41.26
    tert-butyl acetate 73.7
    decalin 1.24
    glycerin 88.83
    diglyme 184.69
    acrylic acid 40.23
    isopropyl myristate 26.89
    n-butyric acid 49.74
    acetyl acetate 29.12
    di(2-ethylhexyl) phthalate 23.23
    ethyl propionate 40.77
    nitromethane 112.86
    1,2-diethoxyethane 68.31
    benzonitrile 13.84
    trioctyl phosphate 21.79
    1-bromopropane 2.72
    gamma-valerolactone 125.78
    n-decanol 26.27
    triethyl phosphate 26.25
    4-methyl-2-pentanol 47.52
    propionitrile 26.75
    vinylene carbonate 29.75
    1,1,2-trichlorotrifluoroethane 76.95
    DMS 31.33
    cumene 4.26
    2-octanol 25.61
    2-hexanone 63.38
    octyl acetate 32.53
    limonene 12.51
    1,2-dimethoxyethane 169.5
    ethyl orthosilicate 24.85
    tributyl phosphate 24.2
    diacetone alcohol 132.11
    N,N-dimethylaniline 25.07
    acrylonitrile 28.76
    aniline 11.04
    1,3-propanediol 94.44
    bromobenzene 1.23
    dibromomethane 0.88
    1,1,2,2-tetrachloroethane 9.42
    2-methyl-cyclohexyl acetate 36.7
    tetrabutyl urea 35.51
    diisobutyl methanol 27.82
    2-phenylethanol 34.6
    styrene 2.41
    dioctyl adipate 37.16
    dimethyl sulfate 59.8
    ethyl butyrate 39.51
    methyl lactate 57.28
    butyl lactate 39.02
    diethyl carbonate 26.09
    propanediol butyl ether 80.24
    triethyl orthoformate 34.5
    p-tert-butyltoluene 9.93
    methyl 4-tert-butylbenzoate 52.55
    morpholine 128.39
    tert-butylamine 66.21
    n-dodecanol 20.42
    dimethoxymethane 135.02
    ethylene carbonate 27.33
    cyrene 82.59
    2-ethoxyethyl acetate 49.0
    2-ethylhexyl acetate 30.32
    1,2,4-trichlorobenzene 5.68
    4-methylpyridine 16.84
    dibutyl ether 31.06
    2,6-dimethyl-4-heptanol 27.82
    DEF 64.42
    dimethyl isosorbide 137.42
    tetrachloroethylene 5.29
    eugenol 56.21
    triacetin 52.82
    span 80 65.92
    1,4-butanediol 49.38
    1,1-dichloroethane 3.91
    2-methyl-1-pentanol 55.55
    methyl formate 54.85
    2-methyl-1-butanol 56.58
    n-decane 2.51
    butyronitrile 28.61
    3,7-dimethyl-1-octanol 35.89
    1-chlorooctane 10.4
    1-chlorotetradecane 5.2
    n-nonane 2.07
    undecane 2.06
    tert-butylcyclohexane 2.12
    cyclooctane 0.44
    cyclopentanol 59.21
    tetrahydropyran 55.25
    tert-amyl methyl ether 61.68
    2,5,8-trioxanonane 153.03
    1-hexene 5.22
    2-isopropoxyethanol 105.19
    2,2,2-trifluoroethanol 35.03
    methyl butyrate 49.81

    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