5-Amino-6-Chloro-o-Cresol

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  • Identifiers

    CAS number
    84540-50-1

    Molecular formula
    C7H8ClNO

    SMILES
    CC1=C(C(=C(C=C1)N)Cl)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 57.32%
    Smoky 41.76%
    Burnt 41.16%
    Odorless 31.57%
    Medicinal 30.25%
    Meaty 27.3%
    Spicy 27.06%
    Sweet 24.76%
    Animal 24.35%
    Savory 21.98%

     

    Flavor
    Bitter 47.54%
    Mild 34.58%
    Phenolic 32.82%
    Meaty 30.67%
    Odorless 24.83%
    Roasted 23.39%
    Coffee 22.11%
    Medicinal 21.79%
    Sulfurous 21.4%
    Very strong 21.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.14 (neutral)

    Molecular weight
    157.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 129.98 ˚C est.

  • Synonyms

    • 84540-50-1
    • 5-Amino-6-chloro-o-cresol
    • 3-amino-2-chloro-6-methylphenol
    • 2-Methyl-5-Amino-6-Chlorophenol
    • PHENOL, 3-AMINO-2-CHLORO-6-METHYL-
    • UNII-8077WHL3XK
    • 8077WHL3XK
    • JAROCOL ACC
    • COLOREX 5A6COC
    • EINECS 283-144-9
    • 2-CHLORO-3-AMINO-6-METHYLPHENOL
    • 2-chloro-6-methyl-3-aminophenol
    • 6-methyl-3-amino-2-chlorophenol
    • DTXSID80233531
    • RefChem:101972
    • DTXCID10156022
    • 5-AMINO-6-CHLORO-O-CRESOL [INCI]
    • 283-144-9
    • 3-Amino-2-chlor-6-methylphenol
    • 2-Chloro-4-methyl-3-hydroxyaniline
    • 3-amino-2-chloro-6-methyl-phenol
    • MFCD03094650
    • 4-Amino-3-chloro-2-hydroxytoluene
    • SCHEMBL94507
    • SCHEMBL29835021
    • SBB058987
    • AKOS006227589
    • AB13339
    • FA29393
    • PS-5155
    • AC-16268
    • SY109993
    • DB-056800
    • A3266
    • CS-0206849
    • NS00038545
    • ST51043294
    • D87590
    • EN300-7365727
    • 540A501
    • F209225
    • Q27269123
    • 2-Methyl-5-amino-6-chlorophenol; 2-Chloro-3-amino-6-methylphenol; 6-Chloro-5-amino-o-cresol; CAOC
    • 84540-50-1

  • Applications

    5-Amino-6-Chloro-o-Cresol (CAS 84540-50-1) is typically used as a synthetic intermediate in the manufacture of specialty chemicals, including dyes and pigments for coatings and printing formulations. It is commonly evaluated as a building block for pharmaceutical and agrochemical syntheses, supporting various intermediates in these sectors. In polymer and plastics chemistry, it can serve as a reactive precursor for tailored chemistries and functional additives. The compound may also find use in coatings and inks as a precursor in formulation workflows. As with all chlorinated cresol derivatives, usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.26
    methanol 91.81
    isopropanol 57.98
    water 4.7
    ethyl acetate 58.42
    n-propanol 60.08
    acetone 170.46
    n-butanol 47.08
    acetonitrile 46.2
    DMF 197.1
    toluene 8.21
    isobutanol 36.4
    1,4-dioxane 199.52
    methyl acetate 64.57
    THF 543.94
    2-butanone 104.89
    n-pentanol 43.48
    sec-butanol 40.15
    n-hexane 1.58
    ethylene glycol 37.21
    NMP 125.83
    cyclohexane 0.7
    DMSO 324.43
    n-butyl acetate 46.59
    n-octanol 30.88
    chloroform 39.86
    n-propyl acetate 40.54
    acetic acid 83.24
    dichloromethane 28.71
    cyclohexanone 98.04
    propylene glycol 27.4
    isopropyl acetate 37.95
    DMAc 120.67
    2-ethoxyethanol 105.61
    isopentanol 40.39
    n-heptane 3.51
    ethyl formate 51.83
    1,2-dichloroethane 29.48
    n-hexanol 57.58
    2-methoxyethanol 156.16
    isobutyl acetate 26.02
    tetrachloromethane 13.43
    n-pentyl acetate 38.27
    transcutol 117.73
    n-heptanol 40.78
    ethylbenzene 7.36
    MIBK 53.83
    2-propoxyethanol 131.39
    tert-butanol 92.98
    MTBE 62.96
    2-butoxyethanol 82.17
    propionic acid 46.59
    o-xylene 9.0
    formic acid 76.24
    diethyl ether 43.33
    m-xylene 12.25
    p-xylene 10.94
    chlorobenzene 16.03
    dimethyl carbonate 37.7
    n-octane 2.08
    formamide 118.23
    cyclopentanone 216.52
    2-pentanone 81.35
    anisole 34.7
    cyclopentyl methyl ether 82.69
    gamma-butyrolactone 220.2
    1-methoxy-2-propanol 107.14
    pyridine 48.38
    3-pentanone 42.33
    furfural 127.02
    n-dodecane 1.7
    diethylene glycol 119.38
    diisopropyl ether 15.24
    tert-amyl alcohol 61.03
    acetylacetone 102.35
    n-hexadecane 1.91
    acetophenone 35.09
    methyl propionate 54.35
    isopentyl acetate 41.13
    trichloroethylene 68.87
    n-nonanol 27.68
    cyclohexanol 27.98
    benzyl alcohol 32.16
    2-ethylhexanol 32.15
    isooctanol 33.72
    dipropyl ether 29.5
    1,2-dichlorobenzene 18.1
    ethyl lactate 30.35
    propylene carbonate 73.5
    n-methylformamide 106.87
    2-pentanol 32.76
    n-pentane 1.21
    1-propoxy-2-propanol 81.34
    1-methoxy-2-propyl acetate 63.1
    2-(2-methoxypropoxy) propanol 50.3
    mesitylene 9.97
    ε-caprolactone 73.1
    p-cymene 11.71
    epichlorohydrin 201.12
    1,1,1-trichloroethane 37.01
    2-aminoethanol 54.48
    morpholine-4-carbaldehyde 125.21
    sulfolane 232.85
    2,2,4-trimethylpentane 2.2
    2-methyltetrahydrofuran 162.9
    n-hexyl acetate 42.63
    isooctane 2.69
    2-(2-butoxyethoxy)ethanol 76.98
    sec-butyl acetate 25.44
    tert-butyl acetate 58.25
    decalin 1.71
    glycerin 64.3
    diglyme 128.36
    acrylic acid 42.69
    isopropyl myristate 18.76
    n-butyric acid 57.29
    acetyl acetate 33.07
    di(2-ethylhexyl) phthalate 21.6
    ethyl propionate 32.01
    nitromethane 190.5
    1,2-diethoxyethane 45.68
    benzonitrile 26.35
    trioctyl phosphate 20.5
    1-bromopropane 13.43
    gamma-valerolactone 203.08
    n-decanol 20.78
    triethyl phosphate 20.78
    4-methyl-2-pentanol 26.97
    propionitrile 30.45
    vinylene carbonate 59.41
    1,1,2-trichlorotrifluoroethane 100.0
    DMS 29.54
    cumene 8.44
    2-octanol 28.22
    2-hexanone 53.84
    octyl acetate 25.59
    limonene 15.45
    1,2-dimethoxyethane 154.07
    ethyl orthosilicate 20.61
    tributyl phosphate 18.62
    diacetone alcohol 87.74
    N,N-dimethylaniline 27.59
    acrylonitrile 42.82
    aniline 21.46
    1,3-propanediol 79.98
    bromobenzene 11.72
    dibromomethane 17.88
    1,1,2,2-tetrachloroethane 51.52
    2-methyl-cyclohexyl acetate 31.0
    tetrabutyl urea 26.87
    diisobutyl methanol 22.2
    2-phenylethanol 43.85
    styrene 7.11
    dioctyl adipate 24.71
    dimethyl sulfate 79.67
    ethyl butyrate 32.48
    methyl lactate 44.39
    butyl lactate 34.19
    diethyl carbonate 20.71
    propanediol butyl ether 53.81
    triethyl orthoformate 25.53
    p-tert-butyltoluene 13.11
    methyl 4-tert-butylbenzoate 47.82
    morpholine 172.89
    tert-butylamine 36.99
    n-dodecanol 15.18
    dimethoxymethane 141.67
    ethylene carbonate 46.75
    cyrene 62.7
    2-ethoxyethyl acetate 51.21
    2-ethylhexyl acetate 29.5
    1,2,4-trichlorobenzene 23.1
    4-methylpyridine 44.75
    dibutyl ether 20.01
    2,6-dimethyl-4-heptanol 22.2
    DEF 60.46
    dimethyl isosorbide 91.81
    tetrachloroethylene 38.86
    eugenol 52.78
    triacetin 36.06
    span 80 44.95
    1,4-butanediol 37.4
    1,1-dichloroethane 28.91
    2-methyl-1-pentanol 36.31
    methyl formate 100.7
    2-methyl-1-butanol 33.8
    n-decane 2.79
    butyronitrile 34.59
    3,7-dimethyl-1-octanol 25.21
    1-chlorooctane 13.1
    1-chlorotetradecane 5.1
    n-nonane 2.45
    undecane 2.12
    tert-butylcyclohexane 2.84
    cyclooctane 0.71
    cyclopentanol 56.44
    tetrahydropyran 94.32
    tert-amyl methyl ether 39.02
    2,5,8-trioxanonane 89.02
    1-hexene 7.35
    2-isopropoxyethanol 72.79
    2,2,2-trifluoroethanol 52.75
    methyl butyrate 43.6

    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