Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

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  • Identifiers

    CAS number
    1103-39-5

    Molecular formula
    C40H26CaN4O8S2

    SMILES
    C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])O.[Ca+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.92%
    Fruity 27.4%
    Grape 24.41%
    Cooked 24.37%
    Bitter 24.02%
    Savory 19.15%
    Burnt 18.47%
    Neroli 15.67%
    Pungent 15.2%
    Fatty 14.85%

     

    Flavor
    Bitter 91.92%
    Odorless 28.07%
    Nitrile 20.66%
    Very strong 18.98%
    Indole 18.71%
    Moth ball 18.06%
    Taco 17.72%
    Bread crust 17.71%
    Naphthelene 17.54%
    Lovage 17.47%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.91 (weak acid)

    Molecular weight
    794.9 g/mol

    Flash point

    • 275.16 ˚C est.

  • Synonyms

    • 1103-39-5
    • calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
    • Calciumbis[2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate]
    • SCHEMBL2978584
    • SCHEMBL9106048
    • SCHEMBL9577827
    • DTXSID2061486
    • AKLXUSFMCRHRNU-JBLAVHSWSA-L
    • AKOS015913940
    • NS00075643
    • H11594
    • Calcium bis{2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate}
    • 1103-39-5

  • Applications

    Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate (CAS 1103-39-5) is the calcium salt of a sulfonated azo dye. It is commonly used as a colorant in textiles (dyeing and printing), in plastics and other polymers for coloration, in inks and coatings for decorative or industrial finishes, and in the paper and cardboard sector for hue control. As an azo dye, it is typically applied as a colorant additive in formulations and may also be encountered as an intermediate in dye synthesis, depending on regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.07
    methanol 1.22
    isopropanol 0.58
    water 0.0
    ethyl acetate 2.17
    n-propanol 1.04
    acetone 7.8
    n-butanol 0.71
    acetonitrile 1.92
    DMF 29.12
    toluene 1.28
    isobutanol 0.51
    1,4-dioxane 8.28
    methyl acetate 3.45
    THF 36.63
    2-butanone 7.53
    n-pentanol 0.62
    sec-butanol 0.68
    n-hexane 0.02
    ethylene glycol 0.54
    NMP 17.22
    cyclohexane 0.04
    DMSO 18.71
    n-butyl acetate 3.0
    n-octanol 0.55
    chloroform 3.69
    n-propyl acetate 2.11
    acetic acid 2.62
    dichloromethane 4.69
    cyclohexanone 9.24
    propylene glycol 0.68
    isopropyl acetate 2.0
    DMAc 25.94
    2-ethoxyethanol 3.1
    isopentanol 0.57
    n-heptane 0.05
    ethyl formate 1.84
    1,2-dichloroethane 3.78
    n-hexanol 0.75
    2-methoxyethanol 7.7
    isobutyl acetate 1.35
    tetrachloromethane 0.17
    n-pentyl acetate 2.72
    transcutol 12.45
    n-heptanol 0.74
    ethylbenzene 0.52
    MIBK 2.24
    2-propoxyethanol 6.45
    tert-butanol 0.73
    MTBE 0.98
    2-butoxyethanol 4.03
    propionic acid 1.41
    o-xylene 0.65
    formic acid 1.45
    diethyl ether 1.18
    m-xylene 0.61
    p-xylene 0.73
    chlorobenzene 1.65
    dimethyl carbonate 3.77
    n-octane 0.04
    formamide 4.32
    cyclopentanone 19.87
    2-pentanone 3.83
    anisole 2.25
    cyclopentyl methyl ether 2.9
    gamma-butyrolactone 16.51
    1-methoxy-2-propanol 4.69
    pyridine 11.52
    3-pentanone 3.1
    furfural 14.04
    n-dodecane 0.06
    diethylene glycol 4.97
    diisopropyl ether 0.32
    tert-amyl alcohol 0.67
    acetylacetone 8.63
    n-hexadecane 0.07
    acetophenone 3.49
    methyl propionate 3.11
    isopentyl acetate 2.87
    trichloroethylene 11.21
    n-nonanol 0.73
    cyclohexanol 0.74
    benzyl alcohol 1.82
    2-ethylhexanol 0.61
    isooctanol 0.66
    dipropyl ether 1.52
    1,2-dichlorobenzene 1.58
    ethyl lactate 1.8
    propylene carbonate 4.74
    n-methylformamide 6.27
    2-pentanol 0.42
    n-pentane 0.02
    1-propoxy-2-propanol 4.45
    1-methoxy-2-propyl acetate 7.02
    2-(2-methoxypropoxy) propanol 4.96
    mesitylene 0.35
    ε-caprolactone 5.83
    p-cymene 0.61
    epichlorohydrin 22.42
    1,1,1-trichloroethane 1.55
    2-aminoethanol 1.01
    morpholine-4-carbaldehyde 17.42
    sulfolane 23.28
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.29
    n-hexyl acetate 2.15
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.55
    sec-butyl acetate 1.46
    tert-butyl acetate 2.8
    decalin 0.04
    glycerin 2.06
    diglyme 12.65
    acrylic acid 2.16
    isopropyl myristate 1.6
    n-butyric acid 1.82
    acetyl acetate 2.18
    di(2-ethylhexyl) phthalate 1.92
    ethyl propionate 1.88
    nitromethane 11.71
    1,2-diethoxyethane 5.19
    benzonitrile 3.11
    trioctyl phosphate 1.15
    1-bromopropane 1.02
    gamma-valerolactone 26.13
    n-decanol 0.64
    triethyl phosphate 1.64
    4-methyl-2-pentanol 0.32
    propionitrile 1.99
    vinylene carbonate 4.88
    1,1,2-trichlorotrifluoroethane 11.25
    DMS 4.28
    cumene 0.36
    2-octanol 0.51
    2-hexanone 3.11
    octyl acetate 1.75
    limonene 0.7
    1,2-dimethoxyethane 8.75
    ethyl orthosilicate 1.47
    tributyl phosphate 1.49
    diacetone alcohol 4.32
    N,N-dimethylaniline 1.5
    acrylonitrile 4.65
    aniline 1.9
    1,3-propanediol 1.66
    bromobenzene 1.62
    dibromomethane 1.87
    1,1,2,2-tetrachloroethane 6.71
    2-methyl-cyclohexyl acetate 2.5
    tetrabutyl urea 3.24
    diisobutyl methanol 0.62
    2-phenylethanol 2.71
    styrene 0.74
    dioctyl adipate 2.81
    dimethyl sulfate 6.4
    ethyl butyrate 2.37
    methyl lactate 3.23
    butyl lactate 2.77
    diethyl carbonate 1.76
    propanediol butyl ether 2.52
    triethyl orthoformate 2.34
    p-tert-butyltoluene 0.59
    methyl 4-tert-butylbenzoate 4.48
    morpholine 8.76
    tert-butylamine 0.29
    n-dodecanol 0.54
    dimethoxymethane 10.72
    ethylene carbonate 3.16
    cyrene 5.35
    2-ethoxyethyl acetate 5.89
    2-ethylhexyl acetate 2.13
    1,2,4-trichlorobenzene 2.81
    4-methylpyridine 5.64
    dibutyl ether 1.29
    2,6-dimethyl-4-heptanol 0.62
    DEF 4.9
    dimethyl isosorbide 13.39
    tetrachloroethylene 3.22
    eugenol 5.2
    triacetin 4.12
    span 80 3.72
    1,4-butanediol 0.48
    1,1-dichloroethane 1.7
    2-methyl-1-pentanol 0.59
    methyl formate 5.56
    2-methyl-1-butanol 0.57
    n-decane 0.08
    butyronitrile 1.5
    3,7-dimethyl-1-octanol 0.7
    1-chlorooctane 0.43
    1-chlorotetradecane 0.27
    n-nonane 0.06
    undecane 0.07
    tert-butylcyclohexane 0.03
    cyclooctane 0.02
    cyclopentanol 1.49
    tetrahydropyran 4.02
    tert-amyl methyl ether 0.94
    2,5,8-trioxanonane 10.64
    1-hexene 0.17
    2-isopropoxyethanol 1.95
    2,2,2-trifluoroethanol 1.03
    methyl butyrate 2.56

    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