1,3,6-naphthalenetrisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, tetrasodium salt

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  • Identifiers

    CAS number
    5850-44-2

    Molecular formula
    C20H10N2Na4O13S4

    SMILES
    C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C(=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 86.05%
    Cooked 19.61%
    Savory 17.15%
    Bitter 15.4%
    Burnt 15.25%
    Clean 13.05%
    Roasted 13.0%
    Pungent 12.61%
    Sulfurous 11.16%
    Sharp 9.94%

     

    Flavor
    Bitter 89.62%
    Odorless 32.69%
    Bland 20.36%
    Nitrile 19.44%
    Taco 17.37%
    Very strong 17.33%
    Bread crust 17.21%
    Indole 17.07%
    Roasted peanuts 16.9%
    Rotten 16.89%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    0.02 (strong acid)

    Molecular weight
    706.5 g/mol

    Flash point

    • 494.29 ˚C est.

  • Synonyms

    • C.I. Acid Red 41
    • 1,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, tetrasodium salt
    • 1,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, tetrasodium salt
    • RefChem:412769
    • Acid red 41
    • 5850-44-2
    • Neklacid Red 6R
    • 85283-68-7
    • Scarlet 6R
    • Ponceau 6RA
    • tetrasodium;7-hydroxy-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3,6-trisulfonate
    • Ponceau 6RPA
    • Ponceau Red 6R
    • Acilan Ponceau 6R
    • Eurocert Ponceau 6R
    • C.I. Food Red 8
    • L-Red 5
    • Hispacid Brilliant Scarlet
    • Ponceau 6R Specially Pure
    • Cerven kysela 41 [Czech]
    • Cerven kysela 41
    • Cerven potravinarska 8 [Czech]
    • Cerven potravinarska 8
    • PONCEAU6R
    • EINECS 227-454-4
    • C.I. Acid Red 41, tetrasodium salt
    • CI 16290
    • C.I. 16290
    • E 126
    • EINECS 286-597-0
    • SCHEMBL342186
    • SCHEMBL29408777
    • SFUBBBHFRZPTIM-QNKYWQQSSA-J
    • DTXSID001021376
    • 7-Hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-1,3,6-naphthalenetrisulfonic acid, tetrasodium salt
    • 7-Hydroxy-8-((4-sulpho-1-naphthyl)azo)naphthalene-1,3,6-trisulphonic acid, sodium salt
    • Tetrasodium 7-hydroxy-8-((4-sulphonato-1-naphthyl)azo)naphthalene-1,3,6-trisulphonate
    • NS00047732
    • 7-Hydroxy-8-[(4-sulpho-1-naphthyl)azo]naphthalene-1,3,6-trisulphonic acid,sodium salt
    • 5850-44-2

  • Applications

    This water-soluble azo dye, 1,3,6-naphthalenetrisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, tetrasodium salt (CAS 5850-44-2), finds use across several industries: as a direct dye for cellulose fibers (cotton, viscose) and for textile printing; as a colorant in paper coatings and packaging substrates; as a colorant in industrial inks and coatings; as an intermediate in the synthesis of other azo dyes; and as a pigment additive for polymers and plastics, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.24
    methanol 3.64
    isopropanol 1.11
    water 0.05
    ethyl acetate 1.9
    n-propanol 1.54
    acetone 6.81
    n-butanol 0.74
    acetonitrile 2.64
    DMF 64.08
    toluene 0.66
    isobutanol 0.64
    1,4-dioxane 8.4
    methyl acetate 4.77
    THF 15.43
    2-butanone 5.75
    n-pentanol 0.5
    sec-butanol 0.94
    n-hexane 0.01
    ethylene glycol 3.91
    NMP 38.43
    cyclohexane 0.03
    DMSO 19.19
    n-butyl acetate 1.95
    n-octanol 1.13
    chloroform 0.88
    n-propyl acetate 1.92
    acetic acid 5.06
    dichloromethane 1.06
    cyclohexanone 5.04
    propylene glycol 4.29
    isopropyl acetate 1.32
    DMAc 42.56
    2-ethoxyethanol 6.25
    isopentanol 0.41
    n-heptane 0.04
    ethyl formate 2.43
    1,2-dichloroethane 0.88
    n-hexanol 0.46
    2-methoxyethanol 17.73
    isobutyl acetate 0.69
    tetrachloromethane 0.07
    n-pentyl acetate 2.95
    transcutol 17.22
    n-heptanol 0.82
    ethylbenzene 0.16
    MIBK 1.03
    2-propoxyethanol 8.53
    tert-butanol 0.79
    MTBE 0.71
    2-butoxyethanol 6.13
    propionic acid 3.79
    o-xylene 0.33
    formic acid 7.48
    diethyl ether 1.08
    m-xylene 0.31
    p-xylene 0.2
    chlorobenzene 0.39
    dimethyl carbonate 5.3
    n-octane 0.03
    formamide 12.47
    cyclopentanone 13.7
    2-pentanone 2.64
    anisole 1.03
    cyclopentyl methyl ether 1.93
    gamma-butyrolactone 16.55
    1-methoxy-2-propanol 11.61
    pyridine 7.39
    3-pentanone 2.28
    furfural 14.3
    n-dodecane 0.04
    diethylene glycol 9.18
    diisopropyl ether 0.18
    tert-amyl alcohol 0.71
    acetylacetone 6.15
    n-hexadecane 0.05
    acetophenone 1.78
    methyl propionate 3.88
    isopentyl acetate 1.07
    trichloroethylene 2.21
    n-nonanol 1.19
    cyclohexanol 0.6
    benzyl alcohol 1.25
    2-ethylhexanol 0.28
    isooctanol 0.5
    dipropyl ether 1.07
    1,2-dichlorobenzene 0.29
    ethyl lactate 2.52
    propylene carbonate 3.74
    n-methylformamide 16.12
    2-pentanol 0.42
    n-pentane 0.02
    1-propoxy-2-propanol 6.39
    1-methoxy-2-propyl acetate 4.66
    2-(2-methoxypropoxy) propanol 6.81
    mesitylene 0.15
    ε-caprolactone 4.9
    p-cymene 0.21
    epichlorohydrin 9.21
    1,1,1-trichloroethane 0.29
    2-aminoethanol 3.9
    morpholine-4-carbaldehyde 38.98
    sulfolane 18.98
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.14
    n-hexyl acetate 2.96
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 9.55
    sec-butyl acetate 0.77
    tert-butyl acetate 1.42
    decalin 0.01
    glycerin 12.1
    diglyme 14.84
    acrylic acid 6.63
    isopropyl myristate 1.15
    n-butyric acid 1.93
    acetyl acetate 1.41
    di(2-ethylhexyl) phthalate 1.27
    ethyl propionate 1.45
    nitromethane 18.45
    1,2-diethoxyethane 3.77
    benzonitrile 1.55
    trioctyl phosphate 1.0
    1-bromopropane 0.3
    gamma-valerolactone 32.36
    n-decanol 0.86
    triethyl phosphate 0.66
    4-methyl-2-pentanol 0.18
    propionitrile 1.79
    vinylene carbonate 4.35
    1,1,2-trichlorotrifluoroethane 11.15
    DMS 3.59
    cumene 0.08
    2-octanol 0.67
    2-hexanone 1.8
    octyl acetate 1.82
    limonene 0.26
    1,2-dimethoxyethane 9.56
    ethyl orthosilicate 0.55
    tributyl phosphate 0.98
    diacetone alcohol 3.79
    N,N-dimethylaniline 0.74
    acrylonitrile 4.65
    aniline 1.17
    1,3-propanediol 3.65
    bromobenzene 0.27
    dibromomethane 0.44
    1,1,2,2-tetrachloroethane 1.64
    2-methyl-cyclohexyl acetate 1.0
    tetrabutyl urea 2.72
    diisobutyl methanol 0.2
    2-phenylethanol 1.37
    styrene 0.21
    dioctyl adipate 2.06
    dimethyl sulfate 7.82
    ethyl butyrate 1.46
    methyl lactate 7.39
    butyl lactate 4.02
    diethyl carbonate 0.9
    propanediol butyl ether 7.88
    triethyl orthoformate 1.35
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.17
    morpholine 9.9
    tert-butylamine 0.23
    n-dodecanol 0.58
    dimethoxymethane 18.13
    ethylene carbonate 2.69
    cyrene 7.12
    2-ethoxyethyl acetate 7.29
    2-ethylhexyl acetate 0.84
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 3.45
    dibutyl ether 0.99
    2,6-dimethyl-4-heptanol 0.2
    DEF 5.17
    dimethyl isosorbide 10.19
    tetrachloroethylene 0.95
    eugenol 4.39
    triacetin 5.28
    span 80 5.49
    1,4-butanediol 1.33
    1,1-dichloroethane 0.52
    2-methyl-1-pentanol 0.27
    methyl formate 12.93
    2-methyl-1-butanol 0.46
    n-decane 0.07
    butyronitrile 0.97
    3,7-dimethyl-1-octanol 0.54
    1-chlorooctane 0.31
    1-chlorotetradecane 0.14
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.51
    tetrahydropyran 2.34
    tert-amyl methyl ether 0.63
    2,5,8-trioxanonane 11.54
    1-hexene 0.07
    2-isopropoxyethanol 3.08
    2,2,2-trifluoroethanol 2.74
    methyl butyrate 1.89

    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