trisodium;5-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-3-sulfonatophenyl]diazenyl]-2-hydroxybenzoate

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  • Identifiers

    Molecular formula
    C20H11N4Na3O9S

    SMILES
    C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)O)C(=O)[O-].[Na+].[Na+].[Na+]

  • Odor profile

    Fragrance
    Odorless 75.89%
    Bitter 23.43%
    Cooked 22.75%
    Savory 22.47%
    Burnt 20.05%
    Roasted 18.46%
    Grape 18.02%
    Milky 17.38%
    Sweet 16.01%
    Meaty 15.12%

     

    Flavor
    Bitter 86.94%
    Odorless 43.46%
    Bland 22.78%
    Nitrile 20.56%
    Mild 20.24%
    Bread crust 19.3%
    Very mild 19.12%
    Taco 19.09%
    Sweet-like 19.05%
    Very strong 18.86%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    1.05 (strong acid)

    Molecular weight
    552.4 g/mol

    Flash point

    • 299.94 ˚C est.

  • Applications

    This is the tri-sodium salt of a water-soluble azo dye bearing sulfonate and carboxylate groups, providing water solubility and bright color. Real-world applications include textile dyeing, industrial inks and printing formulations, coatings and paints, colorant additives for plastics and polymer substrates, and potential use as a cosmetic colorant where permitted by regulation and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.59
    methanol 1.36
    isopropanol 1.11
    water 0.0
    ethyl acetate 1.12
    n-propanol 1.81
    acetone 3.5
    n-butanol 0.77
    acetonitrile 0.56
    DMF 45.12
    toluene 0.24
    isobutanol 0.61
    1,4-dioxane 6.73
    methyl acetate 3.14
    THF 26.27
    2-butanone 6.75
    n-pentanol 0.42
    sec-butanol 1.65
    n-hexane 0.01
    ethylene glycol 0.89
    NMP 33.4
    cyclohexane 0.02
    DMSO 38.43
    n-butyl acetate 0.72
    n-octanol 0.34
    chloroform 0.41
    n-propyl acetate 0.89
    acetic acid 2.82
    dichloromethane 0.44
    cyclohexanone 4.87
    propylene glycol 2.55
    isopropyl acetate 0.7
    DMAc 76.31
    2-ethoxyethanol 6.72
    isopentanol 0.38
    n-heptane 0.01
    ethyl formate 1.22
    1,2-dichloroethane 0.41
    n-hexanol 0.19
    2-methoxyethanol 18.2
    isobutyl acetate 0.22
    tetrachloromethane 0.03
    n-pentyl acetate 0.63
    transcutol 10.12
    n-heptanol 0.31
    ethylbenzene 0.08
    MIBK 0.55
    2-propoxyethanol 6.01
    tert-butanol 0.71
    MTBE 0.85
    2-butoxyethanol 2.95
    propionic acid 2.67
    o-xylene 0.15
    formic acid 2.37
    diethyl ether 0.92
    m-xylene 0.09
    p-xylene 0.09
    chlorobenzene 0.09
    dimethyl carbonate 2.05
    n-octane 0.01
    formamide 6.41
    cyclopentanone 12.59
    2-pentanone 1.91
    anisole 0.74
    cyclopentyl methyl ether 1.68
    gamma-butyrolactone 12.04
    1-methoxy-2-propanol 11.78
    pyridine 4.75
    3-pentanone 1.56
    furfural 7.15
    n-dodecane 0.01
    diethylene glycol 3.63
    diisopropyl ether 0.09
    tert-amyl alcohol 1.22
    acetylacetone 2.81
    n-hexadecane 0.01
    acetophenone 0.91
    methyl propionate 2.83
    isopentyl acetate 0.43
    trichloroethylene 1.06
    n-nonanol 0.41
    cyclohexanol 0.72
    benzyl alcohol 0.74
    2-ethylhexanol 0.13
    isooctanol 0.19
    dipropyl ether 0.66
    1,2-dichlorobenzene 0.07
    ethyl lactate 1.34
    propylene carbonate 1.81
    n-methylformamide 10.2
    2-pentanol 0.43
    n-pentane 0.01
    1-propoxy-2-propanol 4.48
    1-methoxy-2-propyl acetate 2.23
    2-(2-methoxypropoxy) propanol 3.71
    mesitylene 0.04
    ε-caprolactone 4.21
    p-cymene 0.05
    epichlorohydrin 8.69
    1,1,1-trichloroethane 0.12
    2-aminoethanol 2.42
    morpholine-4-carbaldehyde 26.62
    sulfolane 23.66
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.87
    n-hexyl acetate 0.77
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.53
    sec-butyl acetate 0.43
    tert-butyl acetate 0.75
    decalin 0.01
    glycerin 5.73
    diglyme 9.48
    acrylic acid 2.81
    isopropyl myristate 0.33
    n-butyric acid 1.51
    acetyl acetate 0.48
    di(2-ethylhexyl) phthalate 0.35
    ethyl propionate 0.94
    nitromethane 8.75
    1,2-diethoxyethane 2.07
    benzonitrile 0.34
    trioctyl phosphate 0.27
    1-bromopropane 0.23
    gamma-valerolactone 29.44
    n-decanol 0.29
    triethyl phosphate 0.43
    4-methyl-2-pentanol 0.14
    propionitrile 0.75
    vinylene carbonate 1.54
    1,1,2-trichlorotrifluoroethane 8.05
    DMS 0.96
    cumene 0.03
    2-octanol 0.24
    2-hexanone 1.16
    octyl acetate 0.55
    limonene 0.1
    1,2-dimethoxyethane 12.5
    ethyl orthosilicate 0.36
    tributyl phosphate 0.31
    diacetone alcohol 2.4
    N,N-dimethylaniline 0.47
    acrylonitrile 1.58
    aniline 0.86
    1,3-propanediol 2.95
    bromobenzene 0.05
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 1.11
    2-methyl-cyclohexyl acetate 0.45
    tetrabutyl urea 0.91
    diisobutyl methanol 0.08
    2-phenylethanol 0.46
    styrene 0.1
    dioctyl adipate 0.76
    dimethyl sulfate 4.88
    ethyl butyrate 0.85
    methyl lactate 4.54
    butyl lactate 1.18
    diethyl carbonate 0.49
    propanediol butyl ether 2.35
    triethyl orthoformate 0.88
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.28
    morpholine 14.74
    tert-butylamine 0.19
    n-dodecanol 0.19
    dimethoxymethane 12.7
    ethylene carbonate 0.99
    cyrene 4.13
    2-ethoxyethyl acetate 1.69
    2-ethylhexyl acetate 0.31
    1,2,4-trichlorobenzene 0.17
    4-methylpyridine 2.26
    dibutyl ether 0.54
    2,6-dimethyl-4-heptanol 0.08
    DEF 5.6
    dimethyl isosorbide 5.16
    tetrachloroethylene 0.43
    eugenol 1.42
    triacetin 1.41
    span 80 2.25
    1,4-butanediol 0.66
    1,1-dichloroethane 0.22
    2-methyl-1-pentanol 0.27
    methyl formate 4.88
    2-methyl-1-butanol 0.59
    n-decane 0.02
    butyronitrile 0.49
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.09
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.72
    tetrahydropyran 3.12
    tert-amyl methyl ether 0.99
    2,5,8-trioxanonane 6.87
    1-hexene 0.06
    2-isopropoxyethanol 2.68
    2,2,2-trifluoroethanol 0.89
    methyl butyrate 1.46

    Scent© AI

1 3

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