3-Methylamino-4-Nitrophenoxyethanol

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  • Identifiers

    CAS number
    59820-63-2

    Molecular formula
    C9H12N2O4

    SMILES
    CNC1=C(C=CC(=C1)OCCO)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 51.51%
    Sweet 36.03%
    Grape 29.16%
    Milky 24.9%
    Savory 23.91%
    Musk 20.87%
    Vanilla 20.83%
    Fruity 20.77%
    Fatty 20.61%
    Creamy 19.49%

     

    Flavor
    Odorless 49.55%
    Bitter 45.34%
    Fruity 33.35%
    Mild 33.21%
    Very mild 26.02%
    Bland 25.16%
    Grape 22.84%
    Sweet-like 22.12%
    Orange flower 20.67%
    Orange blossom 19.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.92 (weak base)

    Molecular weight
    212.2 g/mol

    Flash point

    • 193.64 ˚C est.

  • Synonyms

    • 3-Methylamino-4-nitrophenoxyethanol
    • IMEXINE FR
    • Y90794QVQ2
    • RefChem:504123
    • 2-[3-(methylamino)-4-nitrophenoxy]ethanol
    • 59820-63-2
    • 2-(3-(Methylamino)-4-nitrophenoxy)ethanol
    • Ethanol, 2-(3-(methylamino)-4-nitrophenoxy)-
    • Ethanol, 2-[3-(methylamino)-4-nitrophenoxy]-
    • UNII-Y90794QVQ2
    • EINECS 261-940-7
    • 2-[3-(methylamino)-4-nitrophenoxy]ethan-1-ol
    • SCHEMBL111211
    • SCHEMBL29392600
    • DTXSID30208552
    • IUTYXFLUCZMDMM-UHFFFAOYSA-N
    • 4-nitro-3-methylaminophenoxyethanol
    • DB-302775
    • 2-(3-(Methylamino)-4-nitrophenoxy) ethanol
    • NS00013861
    • METHYLAMINO-4-NITRO-PHENOXYETHANOL, 3-
    • 2-(4-NITRO-5-(N-METHYLAMINO)PHENOXY)ETHANOL
    • Q27294390
    • 59820-63-2

  • Applications

    3-Methylamino-4-Nitrophenoxyethanol (CAS 59820-63-2) is primarily used as a specialty chemical intermediate in organic synthesis, including routes to dyes and pharmaceutical intermediates; in coatings, inks and adhesives it can act as a reactive monomer or functional additive to enable crosslinking and surface modification; in polymer chemistry it may serve as a crosslinker or hydrophilic modifier to tailor resin and plastic properties; in electronics and photolithography it is evaluated as a reactive intermediate for photoresists and UV-curable systems; and it can function as a building block in industrial formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.26
    methanol 32.73
    isopropanol 9.71
    water 0.74
    ethyl acetate 28.74
    n-propanol 11.22
    acetone 102.48
    n-butanol 11.26
    acetonitrile 33.51
    DMF 323.41
    toluene 4.78
    isobutanol 7.97
    1,4-dioxane 40.05
    methyl acetate 43.01
    THF 76.77
    2-butanone 50.03
    n-pentanol 11.05
    sec-butanol 8.36
    n-hexane 0.24
    ethylene glycol 31.81
    NMP 242.96
    cyclohexane 0.44
    DMSO 627.3
    n-butyl acetate 20.48
    n-octanol 5.19
    chloroform 21.64
    n-propyl acetate 19.97
    acetic acid 66.34
    dichloromethane 43.25
    cyclohexanone 66.15
    propylene glycol 19.52
    isopropyl acetate 15.7
    DMAc 329.5
    2-ethoxyethanol 51.69
    isopentanol 12.57
    n-heptane 0.35
    ethyl formate 30.25
    1,2-dichloroethane 46.78
    n-hexanol 10.95
    2-methoxyethanol 97.48
    isobutyl acetate 10.38
    tetrachloromethane 2.96
    n-pentyl acetate 9.57
    transcutol 109.74
    n-heptanol 5.61
    ethylbenzene 4.55
    MIBK 19.84
    2-propoxyethanol 39.78
    tert-butanol 22.93
    MTBE 12.59
    2-butoxyethanol 19.68
    propionic acid 28.86
    o-xylene 7.62
    formic acid 69.67
    diethyl ether 9.23
    m-xylene 6.06
    p-xylene 5.89
    chlorobenzene 12.75
    dimethyl carbonate 34.38
    n-octane 0.21
    formamide 119.47
    cyclopentanone 101.9
    2-pentanone 32.8
    anisole 20.67
    cyclopentyl methyl ether 19.54
    gamma-butyrolactone 119.39
    1-methoxy-2-propanol 52.86
    pyridine 33.21
    3-pentanone 29.56
    furfural 115.9
    n-dodecane 0.31
    diethylene glycol 62.76
    diisopropyl ether 2.89
    tert-amyl alcohol 17.17
    acetylacetone 66.27
    n-hexadecane 0.37
    acetophenone 32.32
    methyl propionate 38.93
    isopentyl acetate 19.28
    trichloroethylene 76.38
    n-nonanol 5.46
    cyclohexanol 13.03
    benzyl alcohol 23.77
    2-ethylhexanol 8.75
    isooctanol 5.3
    dipropyl ether 6.89
    1,2-dichlorobenzene 16.48
    ethyl lactate 26.81
    propylene carbonate 55.0
    n-methylformamide 94.28
    2-pentanol 6.44
    n-pentane 0.2
    1-propoxy-2-propanol 26.52
    1-methoxy-2-propyl acetate 33.9
    2-(2-methoxypropoxy) propanol 36.41
    mesitylene 4.46
    ε-caprolactone 52.92
    p-cymene 5.71
    epichlorohydrin 104.76
    1,1,1-trichloroethane 19.31
    2-aminoethanol 28.81
    morpholine-4-carbaldehyde 141.29
    sulfolane 241.06
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 31.5
    n-hexyl acetate 14.36
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 36.61
    sec-butyl acetate 11.44
    tert-butyl acetate 22.56
    decalin 0.74
    glycerin 63.83
    diglyme 74.55
    acrylic acid 42.98
    isopropyl myristate 6.66
    n-butyric acid 28.81
    acetyl acetate 27.1
    di(2-ethylhexyl) phthalate 13.28
    ethyl propionate 20.89
    nitromethane 183.19
    1,2-diethoxyethane 20.59
    benzonitrile 24.89
    trioctyl phosphate 8.37
    1-bromopropane 9.67
    gamma-valerolactone 120.34
    n-decanol 4.5
    triethyl phosphate 17.95
    4-methyl-2-pentanol 6.02
    propionitrile 19.66
    vinylene carbonate 51.73
    1,1,2-trichlorotrifluoroethane 105.81
    DMS 30.71
    cumene 4.43
    2-octanol 3.45
    2-hexanone 22.56
    octyl acetate 9.17
    limonene 8.12
    1,2-dimethoxyethane 76.09
    ethyl orthosilicate 13.99
    tributyl phosphate 11.47
    diacetone alcohol 42.24
    N,N-dimethylaniline 18.74
    acrylonitrile 39.93
    aniline 16.91
    1,3-propanediol 33.43
    bromobenzene 9.85
    dibromomethane 21.05
    1,1,2,2-tetrachloroethane 52.31
    2-methyl-cyclohexyl acetate 19.74
    tetrabutyl urea 18.82
    diisobutyl methanol 5.86
    2-phenylethanol 20.34
    styrene 5.66
    dioctyl adipate 16.05
    dimethyl sulfate 106.73
    ethyl butyrate 18.95
    methyl lactate 49.05
    butyl lactate 15.91
    diethyl carbonate 17.5
    propanediol butyl ether 23.15
    triethyl orthoformate 15.72
    p-tert-butyltoluene 5.15
    methyl 4-tert-butylbenzoate 28.26
    morpholine 45.45
    tert-butylamine 8.18
    n-dodecanol 3.67
    dimethoxymethane 77.95
    ethylene carbonate 37.18
    cyrene 54.28
    2-ethoxyethyl acetate 20.74
    2-ethylhexyl acetate 14.42
    1,2,4-trichlorobenzene 23.77
    4-methylpyridine 33.21
    dibutyl ether 5.83
    2,6-dimethyl-4-heptanol 5.86
    DEF 61.02
    dimethyl isosorbide 58.6
    tetrachloroethylene 30.22
    eugenol 28.49
    triacetin 28.17
    span 80 22.77
    1,4-butanediol 17.89
    1,1-dichloroethane 20.45
    2-methyl-1-pentanol 13.46
    methyl formate 83.37
    2-methyl-1-butanol 10.74
    n-decane 0.44
    butyronitrile 17.49
    3,7-dimethyl-1-octanol 7.11
    1-chlorooctane 2.75
    1-chlorotetradecane 1.42
    n-nonane 0.32
    undecane 0.37
    tert-butylcyclohexane 0.65
    cyclooctane 0.21
    cyclopentanol 15.59
    tetrahydropyran 18.68
    tert-amyl methyl ether 13.1
    2,5,8-trioxanonane 61.13
    1-hexene 1.62
    2-isopropoxyethanol 29.64
    2,2,2-trifluoroethanol 44.13
    methyl butyrate 30.38

    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