3-Amino-2,6-dimethylphenol

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  • Identifiers

    CAS number
    6994-64-5

    Molecular formula
    C8H11NO

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 70.7%
    Smoky 53.12%
    Burnt 45.08%
    Medicinal 41.96%
    Sweet 40.13%
    Spicy 39.41%
    Leathery 33.17%
    Meaty 31.38%
    Musty 31.16%
    Animal 29.53%

     

    Flavor
    Phenolic 51.11%
    Meaty 37.05%
    Sweet 36.65%
    Medicinal 35.56%
    Mild 33.25%
    Bitter 31.48%
    Coffee 29.09%
    Roasted 27.91%
    Smoky 27.67%
    Smoke 27.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.11 (neutral)

    Molecular weight
    137.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point

    • 134.0 ˚C est.

  • Synonyms

    • 3-amino-2,6-dimethylphenol
    • 6994-64-5
    • UNII-KK52J0MQ7D
    • EINECS 230-268-6
    • KK52J0MQ7D
    • 2,6-dimethyl-3-aminophenol
    • DTXSID80220224
    • Phenol, 3-amino-2,6-dimethyl-
    • 2,6-XYLENOL, 3-AMINO-
    • 2,6-DIMETHYL-5-AMINOPHENOL
    • RefChem:92865
    • DTXCID80142715
    • 3-AMINO-2,6-DIMETHYLPHENOL [INCI]
    • 230-268-6
    • 3-Amino-2,6-xylenol
    • MFCD09971645
    • SCHEMBL126200
    • 2,6-dimethyl-3-amino phenol
    • 3-amino 2,6-dimethyl phenol
    • 3-amino-2,6-dimethyl phenol
    • SCHEMBL29631738
    • GAA99464
    • AKOS009218079
    • SB75498
    • CS-0246614
    • NS00036988
    • EN300-33426
    • G26272
    • Q27282301
    • Z352249250
    • 2,6-Xylenol, 3-amino- (7CI,8CI); 3-Amino-2,6-dimethylphenol; 2,6-Dimethyl-3-aminophenol; 2,6-Dimethyl-5-aminophenol; 3-Amino-2,6-xylenol
    • 6994-64-5

  • Applications

    3-Amino-2,6-dimethylphenol (CAS 6994-64-5) is primarily used as an organic synthesis intermediate and a building block in specialty chemicals. In the dye and pigment sector, it serves as a precursor for azo dyes and pigment intermediates. It is also employed as an intermediate in the synthesis of pharmaceutical and agrochemical compounds. In the polymer and coating industries, the compound can function as a reactive monomer or linking component in epoxy and polyurethane systems. Additionally, it is used as a stepping stone for the preparation of more complex intermediates in fine chemicals, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 187.25
    methanol 310.58
    isopropanol 117.59
    water 14.47
    ethyl acetate 107.79
    n-propanol 138.88
    acetone 165.92
    n-butanol 108.73
    acetonitrile 151.57
    DMF 149.46
    toluene 16.11
    isobutanol 74.06
    1,4-dioxane 430.62
    methyl acetate 118.65
    THF 612.2
    2-butanone 149.51
    n-pentanol 81.28
    sec-butanol 77.71
    n-hexane 5.68
    ethylene glycol 43.14
    NMP 95.5
    cyclohexane 2.85
    DMSO 305.62
    n-butyl acetate 78.08
    n-octanol 54.2
    chloroform 146.09
    n-propyl acetate 57.05
    acetic acid 159.79
    dichloromethane 122.44
    cyclohexanone 135.52
    propylene glycol 32.98
    isopropyl acetate 57.7
    DMAc 101.72
    2-ethoxyethanol 171.9
    isopentanol 83.52
    n-heptane 7.64
    ethyl formate 113.76
    1,2-dichloroethane 100.21
    n-hexanol 111.44
    2-methoxyethanol 261.2
    isobutyl acetate 33.83
    tetrachloromethane 46.78
    n-pentyl acetate 58.13
    transcutol 184.45
    n-heptanol 75.28
    ethylbenzene 13.42
    MIBK 73.32
    2-propoxyethanol 199.66
    tert-butanol 175.53
    MTBE 128.3
    2-butoxyethanol 131.13
    propionic acid 94.3
    o-xylene 16.67
    formic acid 162.78
    diethyl ether 121.74
    m-xylene 19.34
    p-xylene 18.67
    chlorobenzene 34.09
    dimethyl carbonate 45.91
    n-octane 4.4
    formamide 253.83
    cyclopentanone 247.4
    2-pentanone 111.28
    anisole 53.96
    cyclopentyl methyl ether 125.37
    gamma-butyrolactone 284.78
    1-methoxy-2-propanol 144.79
    pyridine 89.08
    3-pentanone 69.79
    furfural 178.77
    n-dodecane 3.26
    diethylene glycol 139.26
    diisopropyl ether 31.57
    tert-amyl alcohol 113.42
    acetylacetone 94.75
    n-hexadecane 3.61
    acetophenone 40.49
    methyl propionate 83.04
    isopentyl acetate 63.45
    trichloroethylene 162.15
    n-nonanol 47.15
    cyclohexanol 48.29
    benzyl alcohol 40.8
    2-ethylhexanol 52.59
    isooctanol 55.75
    dipropyl ether 59.38
    1,2-dichlorobenzene 37.57
    ethyl lactate 30.06
    propylene carbonate 99.91
    n-methylformamide 187.83
    2-pentanol 59.69
    n-pentane 4.67
    1-propoxy-2-propanol 107.58
    1-methoxy-2-propyl acetate 77.92
    2-(2-methoxypropoxy) propanol 65.04
    mesitylene 15.14
    ε-caprolactone 108.85
    p-cymene 16.34
    epichlorohydrin 338.41
    1,1,1-trichloroethane 103.43
    2-aminoethanol 85.45
    morpholine-4-carbaldehyde 164.38
    sulfolane 225.99
    2,2,4-trimethylpentane 5.37
    2-methyltetrahydrofuran 237.02
    n-hexyl acetate 73.06
    isooctane 5.97
    2-(2-butoxyethoxy)ethanol 108.37
    sec-butyl acetate 32.51
    tert-butyl acetate 86.64
    decalin 4.42
    glycerin 69.8
    diglyme 183.13
    acrylic acid 72.61
    isopropyl myristate 26.37
    n-butyric acid 127.89
    acetyl acetate 49.61
    di(2-ethylhexyl) phthalate 26.72
    ethyl propionate 46.25
    nitromethane 343.06
    1,2-diethoxyethane 86.66
    benzonitrile 42.28
    trioctyl phosphate 25.77
    1-bromopropane 46.57
    gamma-valerolactone 301.38
    n-decanol 33.68
    triethyl phosphate 27.76
    4-methyl-2-pentanol 43.14
    propionitrile 99.1
    vinylene carbonate 87.2
    1,1,2-trichlorotrifluoroethane 123.87
    DMS 41.25
    cumene 14.47
    2-octanol 45.51
    2-hexanone 76.58
    octyl acetate 37.99
    limonene 23.25
    1,2-dimethoxyethane 263.41
    ethyl orthosilicate 30.15
    tributyl phosphate 25.08
    diacetone alcohol 103.15
    N,N-dimethylaniline 36.89
    acrylonitrile 110.9
    aniline 39.49
    1,3-propanediol 148.97
    bromobenzene 27.04
    dibromomethane 76.92
    1,1,2,2-tetrachloroethane 117.8
    2-methyl-cyclohexyl acetate 42.03
    tetrabutyl urea 30.76
    diisobutyl methanol 33.14
    2-phenylethanol 62.03
    styrene 12.84
    dioctyl adipate 30.12
    dimethyl sulfate 72.63
    ethyl butyrate 49.74
    methyl lactate 41.11
    butyl lactate 42.5
    diethyl carbonate 31.02
    propanediol butyl ether 66.74
    triethyl orthoformate 37.07
    p-tert-butyltoluene 17.98
    methyl 4-tert-butylbenzoate 58.13
    morpholine 325.37
    tert-butylamine 88.28
    n-dodecanol 24.44
    dimethoxymethane 180.6
    ethylene carbonate 81.92
    cyrene 63.75
    2-ethoxyethyl acetate 80.15
    2-ethylhexyl acetate 46.15
    1,2,4-trichlorobenzene 40.51
    4-methylpyridine 70.14
    dibutyl ether 39.42
    2,6-dimethyl-4-heptanol 33.14
    DEF 76.47
    dimethyl isosorbide 111.99
    tetrachloroethylene 90.52
    eugenol 62.68
    triacetin 45.17
    span 80 59.13
    1,4-butanediol 49.6
    1,1-dichloroethane 93.75
    2-methyl-1-pentanol 64.64
    methyl formate 153.67
    2-methyl-1-butanol 70.5
    n-decane 5.78
    butyronitrile 101.29
    3,7-dimethyl-1-octanol 40.39
    1-chlorooctane 25.12
    1-chlorotetradecane 8.87
    n-nonane 5.19
    undecane 4.2
    tert-butylcyclohexane 6.87
    cyclooctane 2.04
    cyclopentanol 80.59
    tetrahydropyran 195.2
    tert-amyl methyl ether 74.61
    2,5,8-trioxanonane 114.36
    1-hexene 21.59
    2-isopropoxyethanol 102.76
    2,2,2-trifluoroethanol 89.51
    methyl butyrate 66.66

    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