disodium 3-ethyl 4,5-dihydro-5-oxo-4-[(4-sulphonato-1-naphthyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

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  • Identifiers

    CAS number
    15139-76-1

    Molecular formula
    C22H16N4Na2O9S2

    SMILES
    CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.37%
    Cooked 24.06%
    Roasted 20.09%
    Bitter 19.76%
    Grape 18.89%
    Savory 18.86%
    Burnt 17.36%
    Fruity 15.91%
    Nutty 14.28%
    Milky 13.51%

     

    Flavor
    Bitter 90.4%
    Odorless 32.86%
    Bland 21.32%
    Nitrile 19.35%
    Taco 18.24%
    Bread crust 18.01%
    Very strong 17.64%
    Indole 17.44%
    Roasted peanuts 17.44%
    Sweet-like 17.43%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    2.14 (strong acid)

    Molecular weight
    590.5 g/mol

    Flash point

    • 326.94 ˚C est.

  • Synonyms

    • 15139-76-1
    • Acid Orange 137
    • disodium 3-ethyl 4,5-dihydro-5-oxo-4-[(4-sulphonato-1-naphthyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
    • disodium;4-[[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate
    • UNII-RGU455OS50
    • HSDB 7975
    • Disodium 3-ethyl 4,5-dihydro-5-oxo-4-((4-sulphonato-1-naphthyl)azo)-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
    • EINECS 239-201-5
    • SCHEMBL29699396
    • BLQVZCMYWIKAGV-UHFFFAOYSA-L
    • MSK14150Z-100_g
    • 1-(4-Sulfophenyl)-3-ethylcarboxy-4-(4-sulfonaphthylazo)-5-hydroxypyrazole disodium
    • Disodium 1-(4-sulfophenyl)-3-ethylcarboxy-4-(4-sulfonaphthylazo)-5-hydroxypyrazole
    • Ethyl 5-oxo-4-(4-sulfonaphthylazo)-1-(p-sulfophenyl)-2-pyrazoline-3-carboxylate disodium salt
    • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-sulfo-1-naphthalenyl)azo)-1-(4-sulfophenyl)-, 3-ethyl ester, disodi
    • 1H-Pyrazole-3-carboxylicacid,4,5-dihydro-5-oxo-4-[2-(4-sulfo-1-naphthalenyl)diazenyl]-1-(4-sulfophenyl)-,3-ethyl ester, sodium salt (1:2)
    • 3-Ethyl 4,5-dihydro-5-oxo-4-((4-sulfo-1-naphthalenyl)azo)-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate disodium salt
    • Disodium 3-ethyl 4,5-dihydro-5-oxo-4-((4-sulfo-1-naphthalenyl)azo)-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
    • Disodium 3-ethyl 5-oxo-4-((4-sulfo-1-naphthyl)azo)-1-(p-sulfophenyl)-2-pyrazoline-3-carboxylate
    • NS00020747
    • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-sulfo-1-naphthalenyl)azo)-1-(4-sulfophenyl)-, 3-ethyl ester, disodium salt
    • 2-Pyrazoline-3-carboxylic acid, 5-oxo-4-((4-sulfo-1-naphthyl)azo)-1-(p-sulfophenyl)-, 2-ethyl ester, disodium salt
    • Sodium 4-((3-(ethoxycarbonyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)naphthalene-1-sulfonate
    • 15139-76-1

  • Applications

    Disodium 3-ethyl 4,5-dihydro-5-oxo-4-[(4-sulphonato-1-naphthyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate (CAS 15139-76-1) is a water-soluble azo dye with several industrial colorant applications: as a textile dye, a colorant for printing inks, and a colorant for coatings of plastics and paper substrates. It may also serve as a dye intermediate for pigment synthesis in industrial dye chemistry. The sulfonate groups confer dispersibility in aqueous formulations, enabling use in waterborne systems; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.08
    methanol 1.81
    isopropanol 0.51
    water 0.01
    ethyl acetate 2.24
    n-propanol 0.82
    acetone 6.02
    n-butanol 0.48
    acetonitrile 3.01
    DMF 27.6
    toluene 0.53
    isobutanol 0.4
    1,4-dioxane 8.06
    methyl acetate 4.88
    THF 12.0
    2-butanone 6.24
    n-pentanol 0.33
    sec-butanol 0.58
    n-hexane 0.01
    ethylene glycol 0.91
    NMP 39.99
    cyclohexane 0.04
    DMSO 14.86
    n-butyl acetate 1.22
    n-octanol 0.22
    chloroform 4.0
    n-propyl acetate 1.39
    acetic acid 5.07
    dichloromethane 5.51
    cyclohexanone 8.88
    propylene glycol 0.92
    isopropyl acetate 0.94
    DMAc 38.04
    2-ethoxyethanol 3.28
    isopentanol 0.31
    n-heptane 0.02
    ethyl formate 2.5
    1,2-dichloroethane 3.17
    n-hexanol 0.22
    2-methoxyethanol 7.75
    isobutyl acetate 0.42
    tetrachloromethane 0.2
    n-pentyl acetate 0.99
    transcutol 4.72
    n-heptanol 0.25
    ethylbenzene 0.16
    MIBK 0.71
    2-propoxyethanol 3.4
    tert-butanol 0.36
    MTBE 0.46
    2-butoxyethanol 2.11
    propionic acid 2.98
    o-xylene 0.29
    formic acid 4.45
    diethyl ether 0.85
    m-xylene 0.17
    p-xylene 0.23
    chlorobenzene 0.83
    dimethyl carbonate 3.8
    n-octane 0.01
    formamide 8.49
    cyclopentanone 14.53
    2-pentanone 2.23
    anisole 0.87
    cyclopentyl methyl ether 1.46
    gamma-butyrolactone 16.28
    1-methoxy-2-propanol 3.84
    pyridine 8.64
    3-pentanone 2.55
    furfural 14.11
    n-dodecane 0.01
    diethylene glycol 3.35
    diisopropyl ether 0.1
    tert-amyl alcohol 0.47
    acetylacetone 4.3
    n-hexadecane 0.01
    acetophenone 1.67
    methyl propionate 3.69
    isopentyl acetate 0.7
    trichloroethylene 8.74
    n-nonanol 0.27
    cyclohexanol 0.66
    benzyl alcohol 1.21
    2-ethylhexanol 0.17
    isooctanol 0.17
    dipropyl ether 0.49
    1,2-dichlorobenzene 0.71
    ethyl lactate 1.49
    propylene carbonate 3.87
    n-methylformamide 9.61
    2-pentanol 0.23
    n-pentane 0.02
    1-propoxy-2-propanol 1.94
    1-methoxy-2-propyl acetate 2.22
    2-(2-methoxypropoxy) propanol 2.71
    mesitylene 0.08
    ε-caprolactone 6.9
    p-cymene 0.12
    epichlorohydrin 12.68
    1,1,1-trichloroethane 1.05
    2-aminoethanol 1.27
    morpholine-4-carbaldehyde 26.81
    sulfolane 23.45
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.72
    n-hexyl acetate 0.89
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.99
    sec-butyl acetate 0.62
    tert-butyl acetate 0.71
    decalin 0.01
    glycerin 3.17
    diglyme 6.87
    acrylic acid 4.74
    isopropyl myristate 0.36
    n-butyric acid 1.94
    acetyl acetate 1.77
    di(2-ethylhexyl) phthalate 0.7
    ethyl propionate 1.43
    nitromethane 17.6
    1,2-diethoxyethane 1.64
    benzonitrile 1.6
    trioctyl phosphate 0.39
    1-bromopropane 0.69
    gamma-valerolactone 26.8
    n-decanol 0.2
    triethyl phosphate 0.71
    4-methyl-2-pentanol 0.1
    propionitrile 1.89
    vinylene carbonate 4.83
    1,1,2-trichlorotrifluoroethane 12.51
    DMS 2.34
    cumene 0.08
    2-octanol 0.16
    2-hexanone 1.49
    octyl acetate 0.63
    limonene 0.18
    1,2-dimethoxyethane 6.65
    ethyl orthosilicate 0.52
    tributyl phosphate 0.48
    diacetone alcohol 1.7
    N,N-dimethylaniline 0.53
    acrylonitrile 4.39
    aniline 1.34
    1,3-propanediol 1.67
    bromobenzene 0.62
    dibromomethane 1.92
    1,1,2,2-tetrachloroethane 5.38
    2-methyl-cyclohexyl acetate 0.76
    tetrabutyl urea 1.18
    diisobutyl methanol 0.08
    2-phenylethanol 0.96
    styrene 0.25
    dioctyl adipate 0.99
    dimethyl sulfate 7.79
    ethyl butyrate 1.12
    methyl lactate 4.02
    butyl lactate 1.21
    diethyl carbonate 0.91
    propanediol butyl ether 1.37
    triethyl orthoformate 0.98
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 1.52
    morpholine 9.21
    tert-butylamine 0.12
    n-dodecanol 0.15
    dimethoxymethane 7.63
    ethylene carbonate 3.3
    cyrene 4.64
    2-ethoxyethyl acetate 2.6
    2-ethylhexyl acetate 0.6
    1,2,4-trichlorobenzene 1.45
    4-methylpyridine 4.01
    dibutyl ether 0.37
    2,6-dimethyl-4-heptanol 0.08
    DEF 5.66
    dimethyl isosorbide 4.57
    tetrachloroethylene 2.75
    eugenol 2.1
    triacetin 2.08
    span 80 1.81
    1,4-butanediol 0.61
    1,1-dichloroethane 1.51
    2-methyl-1-pentanol 0.25
    methyl formate 7.96
    2-methyl-1-butanol 0.4
    n-decane 0.02
    butyronitrile 1.12
    3,7-dimethyl-1-octanol 0.17
    1-chlorooctane 0.12
    1-chlorotetradecane 0.06
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.32
    tetrahydropyran 2.94
    tert-amyl methyl ether 0.48
    2,5,8-trioxanonane 5.58
    1-hexene 0.08
    2-isopropoxyethanol 1.53
    2,2,2-trifluoroethanol 2.76
    methyl butyrate 1.99

    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