Hydroxyethyl-2-nitro-p-toluidine

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  • Identifiers

    CAS number
    100418-33-5

    Molecular formula
    C9H12N2O3

    SMILES
    CC1=CC(=C(C=C1)NCCO)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 45.47%
    Sweet 40.93%
    Grape 32.54%
    Savory 23.04%
    Bitter 22.8%
    Animal 22.21%
    Floral 21.8%
    Musk 21.14%
    Citrus 21.05%
    Milky 20.49%

     

    Flavor
    Odorless 54.88%
    Bitter 50.23%
    Mild 38.63%
    Bland 24.58%
    Sweet-like 22.46%
    Very mild 21.91%
    Orange flower 21.13%
    Fruity 20.38%
    Nitrile 20.04%
    Orange blossom 19.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.39 (weak base)

    Molecular weight
    196.2 g/mol

    Flash point

    • 182.72 ˚C est.

  • Synonyms

    • 2-((4-Methyl-2-nitrophenyl)amino)ethanol
    • Hydroxyethyl-2-nitro-p-toluidine
    • Ethanol, 2-[(4-methyl-2-nitrophenyl)amino]-
    • 4-(2-Hydroxyethylamino)-3-nitrotoluene
    • UNII-KL22OLP94K
    • KL22OLP94K
    • Ethanol, 2-((4-methyl-2-nitrophenyl)amino)-
    • 2-[(4-METHYL-2-NITROPHENYL)AMINO]ETHANOL
    • 4-((2-Hydroxyethyl)amino)-3-nitro-1-methylbenzene
    • DTXSID20143261
    • EC 408-090-7
    • RefChem:147176
    • DTXCID7065752
    • HYDROXYETHYL-2-NITRO-P-TOLUIDINE [INCI]
    • 408-090-7
    • 620-681-3
    • 100418-33-5
    • 2-(4-Methyl-2-nitrophenylamino)ethanol
    • N-(2-Hydroxyethyl) 4-methyl-2-nitroaniline
    • N-(beta-Hydroxyethyl)-2-nitro-p-toluidine
    • 2-(4-methyl-2-nitroanilino)ethanol
    • MFCD00274758
    • 3-Nitro-4-Hydroxyethy Lamino Toluene
    • 3-Nitro-4-hydroxyethylaminotoluene
    • 3-nitro-4-hydroxyethylamino toluene
    • 2-(4-methyl-2-nitro-anilino)ethanol
    • SCHEMBL24076
    • SCHEMBL29377506
    • SCZQUWZLEIYDBD-UHFFFAOYSA-N
    • MSK15623
    • 3-Nitro-4-hydroxyethylaminotolueneanol
    • AKOS009357247
    • AC-8184
    • 2-(4-Methyl-2-nitroanilino)ethan-1-ol
    • AS-13568
    • DB-058430
    • CS-0208760
    • NS00009825
    • 2-((4-Methyl-2-Nitrophenyl)Amino)Ethan-1-Ol
    • 418H335
    • Q27282317
    • Ethanol, 2-[(4-methyl-2-nitrophenyl)amino]-; 2-[(4-Methyl-2-nitrophenyl)amino]ethanol; 4-[(2-Hydroxyethyl)amino]-3-nitro-1-methylbenzene
    • 100418-33-5

  • Applications

    Hydroxyethyl-2-nitro-p-toluidine is a chemical intermediate primarily used in the synthesis of azo dyes and organic pigments, acting as a precursor for colorants employed in textiles and plastics. It is also a functional building block for coating formulations and inks, with the hydroxyethyl group enabling further linking or functionalization with polymer systems. Additionally, the compound may participate in polymer and resin formulations and can be transformed to engage in reactions with isocyanates or epoxy resins to form polyurethane or epoxy linkages, depending on conditions and formulation. Common applications include dye and pigment manufacture, coatings/inks, and polymer resin systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.16
    methanol 87.11
    isopropanol 27.82
    water 1.08
    ethyl acetate 48.2
    n-propanol 35.34
    acetone 137.52
    n-butanol 32.13
    acetonitrile 40.96
    DMF 376.87
    toluene 17.3
    isobutanol 22.04
    1,4-dioxane 72.03
    methyl acetate 61.8
    THF 133.75
    2-butanone 85.49
    n-pentanol 23.56
    sec-butanol 21.3
    n-hexane 0.38
    ethylene glycol 48.09
    NMP 191.18
    cyclohexane 0.98
    DMSO 378.18
    n-butyl acetate 25.82
    n-octanol 12.18
    chloroform 40.63
    n-propyl acetate 24.39
    acetic acid 56.24
    dichloromethane 59.98
    cyclohexanone 92.61
    propylene glycol 33.69
    isopropyl acetate 25.13
    DMAc 280.41
    2-ethoxyethanol 61.5
    isopentanol 29.72
    n-heptane 0.58
    ethyl formate 46.06
    1,2-dichloroethane 66.53
    n-hexanol 26.6
    2-methoxyethanol 128.65
    isobutyl acetate 15.12
    tetrachloromethane 4.82
    n-pentyl acetate 15.12
    transcutol 104.5
    n-heptanol 13.61
    ethylbenzene 10.43
    MIBK 33.54
    2-propoxyethanol 57.75
    tert-butanol 44.57
    MTBE 21.57
    2-butoxyethanol 33.15
    propionic acid 38.45
    o-xylene 16.52
    formic acid 61.14
    diethyl ether 17.55
    m-xylene 15.19
    p-xylene 12.15
    chlorobenzene 26.67
    dimethyl carbonate 36.95
    n-octane 0.47
    formamide 89.32
    cyclopentanone 130.32
    2-pentanone 58.02
    anisole 29.9
    cyclopentyl methyl ether 31.01
    gamma-butyrolactone 123.16
    1-methoxy-2-propanol 73.79
    pyridine 59.57
    3-pentanone 42.85
    furfural 122.4
    n-dodecane 0.66
    diethylene glycol 79.37
    diisopropyl ether 4.8
    tert-amyl alcohol 33.24
    acetylacetone 84.49
    n-hexadecane 0.77
    acetophenone 39.76
    methyl propionate 52.27
    isopentyl acetate 25.36
    trichloroethylene 108.81
    n-nonanol 11.42
    cyclohexanol 26.45
    benzyl alcohol 37.23
    2-ethylhexanol 16.17
    isooctanol 11.82
    dipropyl ether 9.8
    1,2-dichlorobenzene 28.37
    ethyl lactate 28.45
    propylene carbonate 60.46
    n-methylformamide 121.08
    2-pentanol 16.39
    n-pentane 0.4
    1-propoxy-2-propanol 35.69
    1-methoxy-2-propyl acetate 38.56
    2-(2-methoxypropoxy) propanol 39.05
    mesitylene 9.34
    ε-caprolactone 63.44
    p-cymene 9.33
    epichlorohydrin 126.86
    1,1,1-trichloroethane 29.6
    2-aminoethanol 51.36
    morpholine-4-carbaldehyde 134.33
    sulfolane 189.27
    2,2,4-trimethylpentane 0.93
    2-methyltetrahydrofuran 51.39
    n-hexyl acetate 22.0
    isooctane 0.69
    2-(2-butoxyethoxy)ethanol 45.44
    sec-butyl acetate 16.07
    tert-butyl acetate 32.22
    decalin 1.39
    glycerin 71.76
    diglyme 82.08
    acrylic acid 44.35
    isopropyl myristate 10.27
    n-butyric acid 45.09
    acetyl acetate 31.66
    di(2-ethylhexyl) phthalate 17.71
    ethyl propionate 25.18
    nitromethane 135.2
    1,2-diethoxyethane 23.13
    benzonitrile 35.62
    trioctyl phosphate 12.65
    1-bromopropane 16.83
    gamma-valerolactone 134.89
    n-decanol 9.28
    triethyl phosphate 18.02
    4-methyl-2-pentanol 13.42
    propionitrile 31.59
    vinylene carbonate 58.01
    1,1,2-trichlorotrifluoroethane 99.0
    DMS 32.16
    cumene 8.53
    2-octanol 8.42
    2-hexanone 30.18
    octyl acetate 14.2
    limonene 12.05
    1,2-dimethoxyethane 88.57
    ethyl orthosilicate 15.04
    tributyl phosphate 14.35
    diacetone alcohol 59.19
    N,N-dimethylaniline 24.51
    acrylonitrile 56.39
    aniline 34.53
    1,3-propanediol 62.85
    bromobenzene 20.72
    dibromomethane 30.67
    1,1,2,2-tetrachloroethane 77.52
    2-methyl-cyclohexyl acetate 22.33
    tetrabutyl urea 22.74
    diisobutyl methanol 10.28
    2-phenylethanol 33.36
    styrene 11.87
    dioctyl adipate 18.92
    dimethyl sulfate 83.96
    ethyl butyrate 22.16
    methyl lactate 51.03
    butyl lactate 21.69
    diethyl carbonate 19.07
    propanediol butyl ether 33.83
    triethyl orthoformate 16.82
    p-tert-butyltoluene 8.72
    methyl 4-tert-butylbenzoate 34.46
    morpholine 76.6
    tert-butylamine 16.51
    n-dodecanol 7.52
    dimethoxymethane 104.67
    ethylene carbonate 44.87
    cyrene 54.93
    2-ethoxyethyl acetate 26.59
    2-ethylhexyl acetate 18.22
    1,2,4-trichlorobenzene 34.82
    4-methylpyridine 57.64
    dibutyl ether 8.56
    2,6-dimethyl-4-heptanol 10.28
    DEF 70.65
    dimethyl isosorbide 62.37
    tetrachloroethylene 45.58
    eugenol 38.26
    triacetin 28.81
    span 80 28.8
    1,4-butanediol 30.84
    1,1-dichloroethane 36.87
    2-methyl-1-pentanol 25.4
    methyl formate 104.47
    2-methyl-1-butanol 25.84
    n-decane 0.85
    butyronitrile 30.85
    3,7-dimethyl-1-octanol 13.08
    1-chlorooctane 5.44
    1-chlorotetradecane 2.79
    n-nonane 0.68
    undecane 0.75
    tert-butylcyclohexane 1.29
    cyclooctane 0.43
    cyclopentanol 31.93
    tetrahydropyran 39.11
    tert-amyl methyl ether 20.79
    2,5,8-trioxanonane 62.86
    1-hexene 3.28
    2-isopropoxyethanol 36.09
    2,2,2-trifluoroethanol 36.48
    methyl butyrate 38.63

    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