4-diazonio-3-hydroxy-8-nitronaphthalene-1-sulfonate

  • Identifiers

    Molecular formula
    C10H5N3O6S

    SMILES
    C1=CC2=C(C(=CC(=C2C(=C1)[N+](=O)[O-])S(=O)(=O)[O-])O)[N+]#N

  • Odor profile

    Fragrance
    Odorless 84.61%
    Bitter 21.63%
    Savory 16.57%
    Cooked 15.97%
    Burnt 15.48%
    Clean 14.64%
    Milky 13.88%
    Dry 13.04%
    Sweet 12.1%
    Roasted 11.63%

     

    Flavor
    Bitter 90.75%
    Odorless 40.96%
    Bland 22.35%
    Nitrile 19.86%
    Sweet-like 17.98%
    Very strong 17.75%
    Bread crust 17.61%
    Indole 17.46%
    Taco 17.31%
    Rotten 17.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.53 (neutral)

    Molecular weight
    295.23 g/mol

    Flash point

    • 217.62 ˚C est.

  • Applications

    4-diazonio-3-hydroxy-8-nitronaphthalene-1-sulfonate is primarily used as an azo dye intermediate for color production, participating in azo-coupling reactions with phenol- or amine-containing partners to form azo dyes for textiles and leather coloring; it also serves as a color precursor for printing inks and coatings, and for plastics/polymers to impart color; in synthetic chemistry, it can be used as a diazonium salt in organic synthesis to introduce aryl groups into other molecules; applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.81
    methanol 20.25
    isopropanol 3.26
    water 2.54
    ethyl acetate 22.96
    n-propanol 4.46
    acetone 33.95
    n-butanol 2.52
    acetonitrile 22.34
    DMF 102.44
    toluene 3.78
    isobutanol 2.12
    1,4-dioxane 37.23
    methyl acetate 32.66
    THF 33.89
    2-butanone 28.92
    n-pentanol 2.16
    sec-butanol 3.03
    n-hexane 0.11
    ethylene glycol 20.16
    NMP 101.14
    cyclohexane 0.4
    DMSO 140.38
    n-butyl acetate 14.69
    n-octanol 6.78
    chloroform 2.33
    n-propyl acetate 11.03
    acetic acid 14.02
    dichloromethane 6.59
    cyclohexanone 25.56
    propylene glycol 5.5
    isopropyl acetate 9.8
    DMAc 109.93
    2-ethoxyethanol 22.57
    isopentanol 1.76
    n-heptane 0.43
    ethyl formate 14.7
    1,2-dichloroethane 8.55
    n-hexanol 4.42
    2-methoxyethanol 46.59
    isobutyl acetate 2.42
    tetrachloromethane 0.63
    n-pentyl acetate 15.42
    transcutol 42.93
    n-heptanol 5.55
    ethylbenzene 1.64
    MIBK 5.71
    2-propoxyethanol 29.86
    tert-butanol 3.2
    MTBE 3.17
    2-butoxyethanol 18.2
    propionic acid 11.57
    o-xylene 3.09
    formic acid 30.22
    diethyl ether 9.0
    m-xylene 1.98
    p-xylene 1.76
    chlorobenzene 2.94
    dimethyl carbonate 28.19
    n-octane 0.32
    formamide 70.01
    cyclopentanone 37.42
    2-pentanone 15.14
    anisole 7.14
    cyclopentyl methyl ether 9.78
    gamma-butyrolactone 49.25
    1-methoxy-2-propanol 20.6
    pyridine 24.04
    3-pentanone 19.73
    furfural 43.42
    n-dodecane 0.35
    diethylene glycol 47.0
    diisopropyl ether 1.5
    tert-amyl alcohol 3.25
    acetylacetone 34.85
    n-hexadecane 0.41
    acetophenone 12.95
    methyl propionate 30.36
    isopentyl acetate 7.61
    trichloroethylene 9.7
    n-nonanol 6.5
    cyclohexanol 3.27
    benzyl alcohol 6.15
    2-ethylhexanol 3.28
    isooctanol 3.13
    dipropyl ether 5.96
    1,2-dichlorobenzene 3.13
    ethyl lactate 9.91
    propylene carbonate 15.92
    n-methylformamide 50.59
    2-pentanol 1.73
    n-pentane 0.17
    1-propoxy-2-propanol 16.75
    1-methoxy-2-propyl acetate 22.63
    2-(2-methoxypropoxy) propanol 17.21
    mesitylene 1.09
    ε-caprolactone 24.92
    p-cymene 2.36
    epichlorohydrin 34.12
    1,1,1-trichloroethane 1.9
    2-aminoethanol 10.87
    morpholine-4-carbaldehyde 91.08
    sulfolane 67.57
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 14.97
    n-hexyl acetate 16.09
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 24.07
    sec-butyl acetate 5.09
    tert-butyl acetate 8.91
    decalin 0.16
    glycerin 18.57
    diglyme 45.04
    acrylic acid 15.69
    isopropyl myristate 5.76
    n-butyric acid 6.87
    acetyl acetate 15.18
    di(2-ethylhexyl) phthalate 5.62
    ethyl propionate 12.6
    nitromethane 67.36
    1,2-diethoxyethane 17.18
    benzonitrile 8.43
    trioctyl phosphate 5.25
    1-bromopropane 2.24
    gamma-valerolactone 59.26
    n-decanol 5.07
    triethyl phosphate 6.38
    4-methyl-2-pentanol 0.96
    propionitrile 10.3
    vinylene carbonate 16.01
    1,1,2-trichlorotrifluoroethane 27.67
    DMS 20.73
    cumene 0.94
    2-octanol 3.82
    2-hexanone 9.9
    octyl acetate 10.4
    limonene 2.99
    1,2-dimethoxyethane 38.27
    ethyl orthosilicate 4.6
    tributyl phosphate 4.82
    diacetone alcohol 13.54
    N,N-dimethylaniline 4.71
    acrylonitrile 20.71
    aniline 6.36
    1,3-propanediol 11.28
    bromobenzene 1.97
    dibromomethane 3.11
    1,1,2,2-tetrachloroethane 6.83
    2-methyl-cyclohexyl acetate 7.08
    tetrabutyl urea 10.57
    diisobutyl methanol 1.58
    2-phenylethanol 9.66
    styrene 1.93
    dioctyl adipate 8.87
    dimethyl sulfate 48.8
    ethyl butyrate 11.1
    methyl lactate 23.02
    butyl lactate 10.66
    diethyl carbonate 8.1
    propanediol butyl ether 12.99
    triethyl orthoformate 7.18
    p-tert-butyltoluene 1.95
    methyl 4-tert-butylbenzoate 12.94
    morpholine 33.06
    tert-butylamine 1.2
    n-dodecanol 3.71
    dimethoxymethane 56.59
    ethylene carbonate 13.77
    cyrene 19.39
    2-ethoxyethyl acetate 28.35
    2-ethylhexyl acetate 6.97
    1,2,4-trichlorobenzene 4.49
    4-methylpyridine 15.63
    dibutyl ether 5.26
    2,6-dimethyl-4-heptanol 1.58
    DEF 36.59
    dimethyl isosorbide 27.15
    tetrachloroethylene 6.51
    eugenol 14.55
    triacetin 17.49
    span 80 12.01
    1,4-butanediol 5.25
    1,1-dichloroethane 2.71
    2-methyl-1-pentanol 1.73
    methyl formate 43.26
    2-methyl-1-butanol 1.88
    n-decane 0.59
    butyronitrile 5.59
    3,7-dimethyl-1-octanol 3.27
    1-chlorooctane 2.71
    1-chlorotetradecane 1.18
    n-nonane 0.49
    undecane 0.45
    tert-butylcyclohexane 0.09
    cyclooctane 0.21
    cyclopentanol 4.89
    tetrahydropyran 11.51
    tert-amyl methyl ether 3.97
    2,5,8-trioxanonane 34.08
    1-hexene 0.55
    2-isopropoxyethanol 11.25
    2,2,2-trifluoroethanol 14.64
    methyl butyrate 13.12

    Scent© AI

1 of 3
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