5-Amino-4-chloro-o-cresol hydrochloride

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  • Identifiers

    CAS number
    110102-85-7

    Molecular formula
    C7H9Cl2NO

    SMILES
    CC1=CC(=C(C=C1O)N)Cl.Cl

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 53.5%
    Burnt 38.0%
    Smoky 37.63%
    Odorless 32.8%
    Meaty 28.32%
    Medicinal 27.06%
    Animal 26.28%
    Spicy 24.82%
    Sweet 23.88%
    Savory 22.41%

     

    Flavor
    Bitter 48.77%
    Mild 36.07%
    Phenolic 32.53%
    Meaty 27.13%
    Odorless 27.02%
    Roasted 21.99%
    Flat 21.65%
    Very strong 21.54%
    Medicinal 21.26%
    Smoked 21.04%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.23 (neutral)

    Molecular weight
    194.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 134.13 ˚C est.

  • Synonyms

    • 110102-85-7
    • 5-AMINO-4-CHLORO-O-CRESOL HCL
    • 5-Amino-4-chloro-o-cresol hydrochloride
    • UNII-31J4UQW59L
    • 31J4UQW59L
    • Phenol, 5-amino-4-chloro-2-methyl-, hydrochloride
    • 2-Methyl-4-chloro-5-aminophenol hydrochloride
    • 5-Amino-4-chloro-o-cresol HCl [INCI]
    • Phenol, 5-amino-4-chloro-2-methyl-, hydrochloride (1:1)
    • RefChem:101961
    • 5-amino-4-chloro-2-methylphenol hydrochloride
    • MFCD28044075
    • 5-amino-4-chloro-2-methylphenol;hydrochloride
    • SCHEMBL5269473
    • SCHEMBL31409336
    • DTXSID001021269
    • AKOS027250614
    • DS-12389
    • SY316665
    • DB-358758
    • 2-methyl-4-chloro-5-aminophenolhydrochloride
    • 5-amino-4-chloro-2-methylphenolhydrochloride
    • CS-0162829
    • 5-amino-4-chloro-2-methyl-phenol;hydrochloride
    • F12240
    • Q27256059
    • 110102-85-7

  • Applications

    5-Amino-4-chloro-o-cresol hydrochloride (CAS 110102-85-7) is a substituted cresol bearing an amino group and a chloro substituent, typically used as an intermediate in organic synthesis. Real-world applications include serving as a building block for dyes and pigments; acting as an intermediate for pharmaceuticals and agrochemicals; evaluated in cosmetics and personal care as a dye-related coupling component; and used in coatings/inks and polymer-related synthesis as a specialty material builder.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.5
    methanol 63.41
    isopropanol 51.62
    water 4.64
    ethyl acetate 43.86
    n-propanol 48.21
    acetone 151.07
    n-butanol 40.5
    acetonitrile 30.89
    DMF 198.47
    toluene 5.89
    isobutanol 31.62
    1,4-dioxane 109.07
    methyl acetate 48.71
    THF 493.12
    2-butanone 93.06
    n-pentanol 37.62
    sec-butanol 37.14
    n-hexane 1.17
    ethylene glycol 28.79
    NMP 103.4
    cyclohexane 0.37
    DMSO 203.46
    n-butyl acetate 34.77
    n-octanol 29.51
    chloroform 25.17
    n-propyl acetate 31.93
    acetic acid 52.34
    dichloromethane 16.66
    cyclohexanone 66.92
    propylene glycol 25.78
    isopropyl acetate 30.31
    DMAc 162.89
    2-ethoxyethanol 84.18
    isopentanol 37.32
    n-heptane 2.69
    ethyl formate 35.73
    1,2-dichloroethane 15.54
    n-hexanol 50.87
    2-methoxyethanol 124.72
    isobutyl acetate 24.66
    tetrachloromethane 9.53
    n-pentyl acetate 30.92
    transcutol 75.78
    n-heptanol 36.67
    ethylbenzene 6.3
    MIBK 47.42
    2-propoxyethanol 111.23
    tert-butanol 83.73
    MTBE 52.31
    2-butoxyethanol 70.81
    propionic acid 33.3
    o-xylene 7.45
    formic acid 47.98
    diethyl ether 28.26
    m-xylene 10.52
    p-xylene 9.66
    chlorobenzene 10.53
    dimethyl carbonate 32.96
    n-octane 1.71
    formamide 72.26
    cyclopentanone 176.19
    2-pentanone 67.96
    anisole 33.08
    cyclopentyl methyl ether 65.22
    gamma-butyrolactone 150.25
    1-methoxy-2-propanol 94.74
    pyridine 32.07
    3-pentanone 38.1
    furfural 86.59
    n-dodecane 1.49
    diethylene glycol 97.66
    diisopropyl ether 11.39
    tert-amyl alcohol 58.61
    acetylacetone 78.49
    n-hexadecane 1.65
    acetophenone 32.73
    methyl propionate 45.54
    isopentyl acetate 33.95
    trichloroethylene 41.03
    n-nonanol 25.83
    cyclohexanol 22.59
    benzyl alcohol 27.9
    2-ethylhexanol 28.67
    isooctanol 30.06
    dipropyl ether 24.03
    1,2-dichlorobenzene 13.01
    ethyl lactate 26.1
    propylene carbonate 54.7
    n-methylformamide 77.82
    2-pentanol 29.33
    n-pentane 0.75
    1-propoxy-2-propanol 68.92
    1-methoxy-2-propyl acetate 50.76
    2-(2-methoxypropoxy) propanol 46.08
    mesitylene 7.96
    ε-caprolactone 53.22
    p-cymene 9.7
    epichlorohydrin 126.16
    1,1,1-trichloroethane 25.43
    2-aminoethanol 45.59
    morpholine-4-carbaldehyde 96.36
    sulfolane 152.46
    2,2,4-trimethylpentane 1.64
    2-methyltetrahydrofuran 124.93
    n-hexyl acetate 36.98
    isooctane 1.92
    2-(2-butoxyethoxy)ethanol 60.87
    sec-butyl acetate 23.16
    tert-butyl acetate 46.49
    decalin 1.34
    glycerin 57.17
    diglyme 99.9
    acrylic acid 29.23
    isopropyl myristate 16.0
    n-butyric acid 45.6
    acetyl acetate 24.25
    di(2-ethylhexyl) phthalate 19.2
    ethyl propionate 26.32
    nitromethane 118.43
    1,2-diethoxyethane 33.35
    benzonitrile 21.58
    trioctyl phosphate 17.51
    1-bromopropane 7.99
    gamma-valerolactone 146.13
    n-decanol 19.35
    triethyl phosphate 18.22
    4-methyl-2-pentanol 24.82
    propionitrile 22.38
    vinylene carbonate 41.62
    1,1,2-trichlorotrifluoroethane 77.52
    DMS 22.95
    cumene 7.38
    2-octanol 26.37
    2-hexanone 51.51
    octyl acetate 22.31
    limonene 12.67
    1,2-dimethoxyethane 122.87
    ethyl orthosilicate 17.84
    tributyl phosphate 15.93
    diacetone alcohol 75.54
    N,N-dimethylaniline 26.19
    acrylonitrile 29.57
    aniline 17.44
    1,3-propanediol 63.1
    bromobenzene 7.68
    dibromomethane 9.72
    1,1,2,2-tetrachloroethane 34.89
    2-methyl-cyclohexyl acetate 27.33
    tetrabutyl urea 23.82
    diisobutyl methanol 19.21
    2-phenylethanol 38.27
    styrene 5.84
    dioctyl adipate 21.44
    dimethyl sulfate 65.93
    ethyl butyrate 26.52
    methyl lactate 38.14
    butyl lactate 28.79
    diethyl carbonate 17.52
    propanediol butyl ether 47.41
    triethyl orthoformate 21.38
    p-tert-butyltoluene 10.74
    methyl 4-tert-butylbenzoate 42.16
    morpholine 107.46
    tert-butylamine 32.71
    n-dodecanol 14.29
    dimethoxymethane 119.86
    ethylene carbonate 33.34
    cyrene 56.85
    2-ethoxyethyl acetate 36.87
    2-ethylhexyl acetate 24.41
    1,2,4-trichlorobenzene 17.24
    4-methylpyridine 35.84
    dibutyl ether 17.11
    2,6-dimethyl-4-heptanol 19.21
    DEF 53.7
    dimethyl isosorbide 78.27
    tetrachloroethylene 23.98
    eugenol 46.46
    triacetin 29.34
    span 80 39.7
    1,4-butanediol 32.43
    1,1-dichloroethane 19.37
    2-methyl-1-pentanol 33.22
    methyl formate 69.4
    2-methyl-1-butanol 31.4
    n-decane 2.47
    butyronitrile 27.57
    3,7-dimethyl-1-octanol 23.29
    1-chlorooctane 11.15
    1-chlorotetradecane 4.4
    n-nonane 2.17
    undecane 1.86
    tert-butylcyclohexane 2.33
    cyclooctane 0.43
    cyclopentanol 45.1
    tetrahydropyran 57.61
    tert-amyl methyl ether 36.38
    2,5,8-trioxanonane 74.79
    1-hexene 5.9
    2-isopropoxyethanol 62.53
    2,2,2-trifluoroethanol 36.18
    methyl butyrate 36.65

    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