Disodium hydrogen bis[5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulphonato(3-)]chromate(3-)

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  • Identifiers

    CAS number
    6408-26-0

    Molecular formula
    C34H27Cl2CrN8Na2O4+2

    SMILES
    [H+].CC1=CC(=CC(=C1[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-])Cl.CC1=CC(=CC(=C1[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-])Cl.[Na+].[Na+].[Cr+3]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.93%
    Phenolic 29.92%
    Bitter 29.67%
    Burnt 25.9%
    Smoky 23.11%
    Musty 21.21%
    Animal 20.6%
    Medicinal 20.05%
    Roasted 19.29%
    Dry 18.01%

     

    Flavor
    Bitter 61.69%
    Odorless 33.01%
    Mild 29.6%
    Roasted 24.64%
    Nutty 23.02%
    Soybean 22.82%
    Bread crust 22.58%
    Very strong 22.51%
    Nitrile 22.33%
    Indole 22.22%

     

  • Properties

    pKa est.
    22.06 (strong base)

    Molecular weight
    780.5 g/mol

    Flash point

    • -96.1 ˚C est.

  • Synonyms

    • 6408-26-0
    • Disodium hydrogen bis[5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulphonato(3-)]chromate(3-)
    • SCHEMBL29354240
    • Chromate(3-), bis[5-chloro-3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-2-(hydroxy-.kappa.O)benzenesulfonato(3-)]-, disodium hydrogen
    • 6408-26-0

  • Applications

    Disodium hydrogen bis[5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulphonato(3-)]chromate(3), CAS 6408-26-0, is a water-soluble azo-chromate complex commonly used as a colorant across multiple industrial sectors, including textile dyes and printing inks, plastics and polymer coloration (masterbatches), coatings and paints, and paper or packaging inks; it can also function as an intermediate in the synthesis of azo dye systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.79
    methanol 6.59
    isopropanol 3.92
    water 0.11
    ethyl acetate 1.79
    n-propanol 4.25
    acetone 3.29
    n-butanol 3.7
    acetonitrile 2.72
    DMF 6.74
    toluene 0.45
    isobutanol 3.08
    1,4-dioxane 3.6
    methyl acetate 2.08
    THF 4.06
    2-butanone 2.32
    n-pentanol 2.41
    sec-butanol 3.28
    n-hexane 0.56
    ethylene glycol 2.91
    NMP 5.18
    cyclohexane 0.33
    DMSO 6.12
    n-butyl acetate 2.24
    n-octanol 1.83
    chloroform 2.49
    n-propyl acetate 1.24
    acetic acid 5.48
    dichloromethane 2.01
    cyclohexanone 2.82
    propylene glycol 3.01
    isopropyl acetate 1.06
    DMAc 3.48
    2-ethoxyethanol 2.66
    isopentanol 2.89
    n-heptane 0.46
    ethyl formate 1.41
    1,2-dichloroethane 1.39
    n-hexanol 3.91
    2-methoxyethanol 5.06
    isobutyl acetate 0.87
    tetrachloromethane 0.55
    n-pentyl acetate 1.11
    transcutol 8.53
    n-heptanol 1.7
    ethylbenzene 0.42
    MIBK 1.32
    2-propoxyethanol 4.28
    tert-butanol 4.41
    MTBE 2.35
    2-butoxyethanol 2.36
    propionic acid 3.72
    o-xylene 0.48
    formic acid 2.61
    diethyl ether 2.07
    m-xylene 0.47
    p-xylene 0.55
    chlorobenzene 0.86
    dimethyl carbonate 0.83
    n-octane 0.19
    formamide 2.56
    cyclopentanone 3.68
    2-pentanone 1.91
    anisole 1.12
    cyclopentyl methyl ether 2.12
    gamma-butyrolactone 4.33
    1-methoxy-2-propanol 3.71
    pyridine 1.85
    3-pentanone 1.35
    furfural 3.06
    n-dodecane 0.17
    diethylene glycol 3.47
    diisopropyl ether 0.68
    tert-amyl alcohol 3.45
    acetylacetone 1.57
    n-hexadecane 0.18
    acetophenone 1.04
    methyl propionate 1.78
    isopentyl acetate 1.9
    trichloroethylene 2.43
    n-nonanol 1.47
    cyclohexanol 2.24
    benzyl alcohol 1.1
    2-ethylhexanol 2.0
    isooctanol 1.33
    dipropyl ether 1.67
    1,2-dichlorobenzene 0.87
    ethyl lactate 0.97
    propylene carbonate 2.23
    n-methylformamide 3.59
    2-pentanol 2.46
    n-pentane 0.46
    1-propoxy-2-propanol 3.17
    1-methoxy-2-propyl acetate 1.73
    2-(2-methoxypropoxy) propanol 2.17
    mesitylene 0.38
    ε-caprolactone 2.47
    p-cymene 0.49
    epichlorohydrin 3.03
    1,1,1-trichloroethane 1.34
    2-aminoethanol 4.28
    morpholine-4-carbaldehyde 4.01
    sulfolane 5.26
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 3.4
    n-hexyl acetate 1.94
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 3.06
    sec-butyl acetate 0.82
    tert-butyl acetate 1.4
    decalin 0.25
    glycerin 3.44
    diglyme 4.16
    acrylic acid 3.47
    isopropyl myristate 0.77
    n-butyric acid 3.55
    acetyl acetate 0.99
    di(2-ethylhexyl) phthalate 0.84
    ethyl propionate 1.07
    nitromethane 4.81
    1,2-diethoxyethane 2.1
    benzonitrile 1.3
    trioctyl phosphate 0.73
    1-bromopropane 1.09
    gamma-valerolactone 3.94
    n-decanol 1.13
    triethyl phosphate 0.64
    4-methyl-2-pentanol 1.49
    propionitrile 2.15
    vinylene carbonate 1.79
    1,1,2-trichlorotrifluoroethane 2.81
    DMS 1.2
    cumene 0.42
    2-octanol 1.14
    2-hexanone 1.46
    octyl acetate 1.08
    limonene 0.86
    1,2-dimethoxyethane 3.26
    ethyl orthosilicate 0.65
    tributyl phosphate 0.85
    diacetone alcohol 2.36
    N,N-dimethylaniline 0.92
    acrylonitrile 2.69
    aniline 1.19
    1,3-propanediol 4.14
    bromobenzene 0.7
    dibromomethane 1.44
    1,1,2,2-tetrachloroethane 2.22
    2-methyl-cyclohexyl acetate 1.11
    tetrabutyl urea 1.11
    diisobutyl methanol 1.08
    2-phenylethanol 1.5
    styrene 0.51
    dioctyl adipate 1.02
    dimethyl sulfate 1.34
    ethyl butyrate 1.29
    methyl lactate 1.53
    butyl lactate 1.18
    diethyl carbonate 0.82
    propanediol butyl ether 2.63
    triethyl orthoformate 0.92
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 1.35
    morpholine 4.34
    tert-butylamine 2.92
    n-dodecanol 0.86
    dimethoxymethane 2.45
    ethylene carbonate 1.4
    cyrene 1.55
    2-ethoxyethyl acetate 1.4
    2-ethylhexyl acetate 1.42
    1,2,4-trichlorobenzene 1.05
    4-methylpyridine 1.82
    dibutyl ether 1.41
    2,6-dimethyl-4-heptanol 1.08
    DEF 2.54
    dimethyl isosorbide 2.61
    tetrachloroethylene 1.55
    eugenol 1.55
    triacetin 1.49
    span 80 2.1
    1,4-butanediol 1.82
    1,1-dichloroethane 1.54
    2-methyl-1-pentanol 2.11
    methyl formate 2.17
    2-methyl-1-butanol 2.82
    n-decane 0.26
    butyronitrile 2.14
    3,7-dimethyl-1-octanol 1.64
    1-chlorooctane 0.83
    1-chlorotetradecane 0.36
    n-nonane 0.27
    undecane 0.2
    tert-butylcyclohexane 0.31
    cyclooctane 0.14
    cyclopentanol 2.84
    tetrahydropyran 2.9
    tert-amyl methyl ether 1.78
    2,5,8-trioxanonane 3.05
    1-hexene 1.37
    2-isopropoxyethanol 1.95
    2,2,2-trifluoroethanol 1.56
    methyl butyrate 1.51

    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