Ethanol, 2-[[4-[ethyl(2-hydroxyethyl)amino]-2-nitrophenyl]amino]-

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  • Identifiers

    CAS number
    104516-93-0

    Molecular formula
    C12H19N3O4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.93%
    Sweet 35.83%
    Fishy 30.02%
    Savory 28.09%
    Cooling 22.69%
    Animal 21.92%
    Meaty 20.63%
    Milky 20.52%
    Grape 18.69%
    Bitter 18.39%

     

    Flavor
    Odorless 59.55%
    Bitter 50.92%
    Mild 34.74%
    Bland 28.95%
    Sweet-like 24.73%
    Very mild 20.32%
    Orange flower 19.95%
    Yeast 19.84%
    Nitrile 19.68%
    Very slight 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.32 (weak base)

    Molecular weight
    269.3 g/mol

    Flash point

    • 245.76 ˚C est.

  • Synonyms

    • Ethanol, 2-4-ethyl(2-hydroxyethyl)amino-2-nitrophenylamino-
    • Ethanol, 2-[[4-[ethyl(2-hydroxyethyl)amino]-2-nitrophenyl]amino]-
    • Ethanol, 2-((4-(ethyl(2-hydroxyethyl)amino)-2-nitrophenyl)amino)-
    • RefChem:592150
    • 600-575-3
    • 104516-93-0
    • 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
    • Ethanol,2-[[4-[ethyl(2-hydroxyethyl)amino]-2-nitrophenyl]amino]-
    • SSRBPSAPLFYFAX-UHFFFAOYSA-N
    • SCHEMBL210589
    • DTXSID70456717
    • 2-{4-[Ethyl(2-hydroxyethyl)amino]-2-nitroanilino}ethan-1-ol
    • NS00006248
    • 104516-93-0

  • Applications

    For Ethanol, 2-[[4-[ethyl(2-hydroxyethyl)amino]-2-nitrophenyl]amino]- (CAS 104516-93-0), this compound is an organic intermediate primarily used as a building block in the synthesis of dyes and colorants, typically serving as a precursor for dye and pigment production. It is also considered a starting point for synthetic routes in pharmaceutical and agrochemical research. In the plastics, coatings, and paper industries, it can function as a color precursor or functional additive related to coloration. In analytical chemistry, it can be used as a reference standard or reagent. Additionally, it is evaluated as a building block for more complex organic compounds in industrial R&D.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.21
    methanol 28.65
    isopropanol 4.1
    water 2.74
    ethyl acetate 15.75
    n-propanol 7.19
    acetone 30.47
    n-butanol 5.75
    acetonitrile 12.26
    DMF 180.32
    toluene 2.56
    isobutanol 5.09
    1,4-dioxane 9.05
    methyl acetate 19.94
    THF 22.53
    2-butanone 18.93
    n-pentanol 5.21
    sec-butanol 4.21
    n-hexane 0.1
    ethylene glycol 26.32
    NMP 252.42
    cyclohexane 0.2
    DMSO 471.81
    n-butyl acetate 11.24
    n-octanol 1.54
    chloroform 14.52
    n-propyl acetate 8.75
    acetic acid 91.13
    dichloromethane 32.01
    cyclohexanone 37.35
    propylene glycol 18.63
    isopropyl acetate 9.6
    DMAc 277.0
    2-ethoxyethanol 29.4
    isopentanol 6.8
    n-heptane 0.13
    ethyl formate 17.33
    1,2-dichloroethane 30.11
    n-hexanol 5.1
    2-methoxyethanol 58.28
    isobutyl acetate 5.0
    tetrachloromethane 3.09
    n-pentyl acetate 4.97
    transcutol 69.43
    n-heptanol 2.71
    ethylbenzene 1.98
    MIBK 9.22
    2-propoxyethanol 25.26
    tert-butanol 7.94
    MTBE 3.5
    2-butoxyethanol 12.28
    propionic acid 29.64
    o-xylene 4.1
    formic acid 116.98
    diethyl ether 2.39
    m-xylene 3.34
    p-xylene 2.88
    chlorobenzene 6.55
    dimethyl carbonate 21.87
    n-octane 0.07
    formamide 150.8
    cyclopentanone 58.71
    2-pentanone 13.24
    anisole 6.87
    cyclopentyl methyl ether 8.35
    gamma-butyrolactone 85.64
    1-methoxy-2-propanol 30.82
    pyridine 17.28
    3-pentanone 13.34
    furfural 85.05
    n-dodecane 0.08
    diethylene glycol 46.96
    diisopropyl ether 1.2
    tert-amyl alcohol 7.93
    acetylacetone 39.15
    n-hexadecane 0.09
    acetophenone 18.33
    methyl propionate 22.78
    isopentyl acetate 11.37
    trichloroethylene 57.79
    n-nonanol 1.78
    cyclohexanol 7.04
    benzyl alcohol 13.75
    2-ethylhexanol 3.8
    isooctanol 2.61
    dipropyl ether 2.44
    1,2-dichlorobenzene 10.28
    ethyl lactate 16.08
    propylene carbonate 42.09
    n-methylformamide 70.05
    2-pentanol 2.79
    n-pentane 0.09
    1-propoxy-2-propanol 15.15
    1-methoxy-2-propyl acetate 23.32
    2-(2-methoxypropoxy) propanol 21.54
    mesitylene 2.35
    ε-caprolactone 36.88
    p-cymene 2.98
    epichlorohydrin 65.72
    1,1,1-trichloroethane 13.6
    2-aminoethanol 25.01
    morpholine-4-carbaldehyde 109.11
    sulfolane 225.12
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 13.14
    n-hexyl acetate 5.62
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 21.61
    sec-butyl acetate 5.95
    tert-butyl acetate 12.59
    decalin 0.32
    glycerin 59.24
    diglyme 41.01
    acrylic acid 45.27
    isopropyl myristate 2.57
    n-butyric acid 25.55
    acetyl acetate 19.78
    di(2-ethylhexyl) phthalate 7.63
    ethyl propionate 9.81
    nitromethane 147.99
    1,2-diethoxyethane 8.25
    benzonitrile 11.72
    trioctyl phosphate 4.42
    1-bromopropane 4.24
    gamma-valerolactone 86.58
    n-decanol 1.4
    triethyl phosphate 11.19
    4-methyl-2-pentanol 2.73
    propionitrile 8.11
    vinylene carbonate 42.15
    1,1,2-trichlorotrifluoroethane 105.93
    DMS 19.17
    cumene 2.08
    2-octanol 1.3
    2-hexanone 7.97
    octyl acetate 3.76
    limonene 3.59
    1,2-dimethoxyethane 28.61
    ethyl orthosilicate 8.77
    tributyl phosphate 6.12
    diacetone alcohol 26.89
    N,N-dimethylaniline 8.26
    acrylonitrile 19.41
    aniline 9.61
    1,3-propanediol 27.44
    bromobenzene 5.55
    dibromomethane 13.31
    1,1,2,2-tetrachloroethane 37.9
    2-methyl-cyclohexyl acetate 11.69
    tetrabutyl urea 10.2
    diisobutyl methanol 2.58
    2-phenylethanol 12.78
    styrene 2.2
    dioctyl adipate 7.83
    dimethyl sulfate 89.35
    ethyl butyrate 10.33
    methyl lactate 36.74
    butyl lactate 10.22
    diethyl carbonate 10.47
    propanediol butyl ether 13.0
    triethyl orthoformate 8.54
    p-tert-butyltoluene 2.57
    methyl 4-tert-butylbenzoate 17.76
    morpholine 15.41
    tert-butylamine 2.57
    n-dodecanol 1.08
    dimethoxymethane 30.66
    ethylene carbonate 28.98
    cyrene 43.06
    2-ethoxyethyl acetate 12.79
    2-ethylhexyl acetate 8.25
    1,2,4-trichlorobenzene 16.47
    4-methylpyridine 16.52
    dibutyl ether 1.44
    2,6-dimethyl-4-heptanol 2.58
    DEF 37.1
    dimethyl isosorbide 43.13
    tetrachloroethylene 24.07
    eugenol 19.21
    triacetin 17.38
    span 80 14.01
    1,4-butanediol 13.3
    1,1-dichloroethane 11.08
    2-methyl-1-pentanol 6.65
    methyl formate 50.27
    2-methyl-1-butanol 6.61
    n-decane 0.11
    butyronitrile 5.92
    3,7-dimethyl-1-octanol 2.59
    1-chlorooctane 0.74
    1-chlorotetradecane 0.39
    n-nonane 0.08
    undecane 0.09
    tert-butylcyclohexane 0.26
    cyclooctane 0.11
    cyclopentanol 9.37
    tetrahydropyran 4.79
    tert-amyl methyl ether 4.71
    2,5,8-trioxanonane 36.03
    1-hexene 0.57
    2-isopropoxyethanol 15.4
    2,2,2-trifluoroethanol 60.41
    methyl butyrate 14.41

    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