Disodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonate

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  • Identifiers

    CAS number
    8004-92-0

    Molecular formula
    C18H9NNa2O8S2

    SMILES
    C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

  • Odor profile

    Fragrance
    Odorless 82.8%
    Burnt 20.07%
    Bitter 19.77%
    Cooked 19.4%
    Savory 16.16%
    Roasted 14.4%
    Clean 13.35%
    Nutty 12.36%
    Pungent 12.14%
    Aromatic 11.5%

     

    Flavor
    Bitter 92.61%
    Odorless 31.76%
    Bland 19.2%
    Nitrile 19.12%
    Very strong 17.2%
    Sweet-like 17.05%
    Bread crust 17.02%
    Taco 17.01%
    Indole 16.98%
    Cedarleaf 16.89%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.37 (strong acid)

    Molecular weight
    477.4 g/mol

    Flash point

    • 340.59 ˚C est.

    Solubility expt.

    • In 2-methoxyethanol 10 mg/mL; in ethanol 0.4 mg/mL

  • Synonyms

    • Acid yellow 3
    • 8004-92-0
    • C.I. Food Yellow 13
    • Quinoline yellow WS
    • C.I. ACID YELLOW 3
    • Quinoline Yellow S
    • 1803038-62-1
    • Sodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonate
    • disodium 2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate
    • Food Yellow 13
    • Quinidine Yellow KT
    • Dye Quinoline Yellow
    • Japan Yellow 203
    • Lemon Yellow ZN 3
    • Basacid Yellow 094
    • Schultz No. 918
    • Quinoline Yellow Extra
    • 83711-72-2
    • disodium;2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate
    • D&C Yellow No. 10
    • DTXSID70873122
    • D and C Yellow No. 10
    • D & C Yellow no. 10
    • Vitasyn Quinoline Yellow 70
    • Chinogelb
    • FD and C Yellow No. 10
    • disodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonate
    • Chinogelb Extra
    • Jaune de quinoleine
    • L-Gelb 3
    • CI 47005
    • 2-(2,3-DIHYDRO-1,3-DIOXO-1H-INDENE-2-YL)-6,8-QUINOLINEDISULFONIC ACID, DISODIUM SALT
    • DISODIUM SALT OF 2-(2,3-DIHYDRO-1,3-DIOXO-1H-INDENE-2-YL)-6,8-QUINOLINEDISULFONIC ACID
    • 2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt
    • Chinogelb [German]
    • L-Gelb 3 [German]
    • Zlut kysela 3 [Czech]
    • Zlut chinolonova [Czech]
    • Chinogelb Extra [German]
    • Chinolingelb
    • Jaune de quinoleine [French]
    • E 104 (dye)
    • Zlut chinolonova
    • Zlut potravinarska 13 [Czech]
    • Chinogelb wasserloeslich [German]
    • Zlut kysela 3
    • Quinoline Yellow W/S
    • Zlut potravinarska 13
    • Chinogelb wasserloeslich
    • C.I. 47005
    • E 104
    • UNII-35SW5USQ3G
    • 35SW5USQ3G
    • DSSTox_CID_21721
    • DSSTox_RID_79831
    • DSSTox_GSID_41721
    • SCHEMBL341717
    • 0QYP77F82G
    • CHEMBL3186254
    • DTXCID8021721
    • HSDB 8008
    • FZUOVNMHEAPVBW-UHFFFAOYSA-L
    • C.I. Acid yellow 3 disodium salt
    • Tox21_302091
    • MFCD00080727
    • AKOS025310764
    • HY-W344938
    • NCGC00255545-01
    • PD094564
    • CAS-8004-92-0
    • DB-056402
    • DB-297217
    • CS-0455925
    • C20349
    • Q420123
    • DISODIUM SALTS, DISULFONIC ACIDS OF 2-(2-QUINOLINYL)-1H-INDENE-1,3(2H)-DIONE
    • 2-(2,3-DIHYDRO-1,3-DIOXO-1H -INDENE-2-YL)-6,8-QUINOLINEDISULFONIC ACID, DISODIUM SALT

  • Applications

    Disodium 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonate (CAS 8004-92-0) is a water-soluble disodium salt bearing two sulfonate groups, commonly used as a dye/intermediate and processing additive in aqueous colorant systems. Real-world applications include as a dye intermediate for textiles and inks, as a water-soluble dye for coatings and paints, as a pigment dispersant in polymers and coatings to improve dispersion and color stability, and as a processing aid in polymer manufacturing to enhance color stability and handling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.27
    methanol 3.98
    isopropanol 1.44
    water 0.23
    ethyl acetate 2.54
    n-propanol 1.92
    acetone 10.3
    n-butanol 1.05
    acetonitrile 7.82
    DMF 163.01
    toluene 0.6
    isobutanol 0.93
    1,4-dioxane 13.95
    methyl acetate 6.46
    THF 21.64
    2-butanone 8.71
    n-pentanol 0.81
    sec-butanol 1.37
    n-hexane 0.02
    ethylene glycol 9.58
    NMP 86.92
    cyclohexane 0.04
    DMSO 45.19
    n-butyl acetate 3.02
    n-octanol 1.37
    chloroform 0.52
    n-propyl acetate 3.56
    acetic acid 6.2
    dichloromethane 1.02
    cyclohexanone 10.38
    propylene glycol 6.29
    isopropyl acetate 1.8
    DMAc 100.43
    2-ethoxyethanol 13.33
    isopentanol 0.7
    n-heptane 0.05
    ethyl formate 4.04
    1,2-dichloroethane 1.26
    n-hexanol 0.69
    2-methoxyethanol 36.86
    isobutyl acetate 1.23
    tetrachloromethane 0.04
    n-pentyl acetate 3.36
    transcutol 24.75
    n-heptanol 1.34
    ethylbenzene 0.26
    MIBK 1.8
    2-propoxyethanol 14.43
    tert-butanol 1.08
    MTBE 0.56
    2-butoxyethanol 9.36
    propionic acid 5.56
    o-xylene 0.44
    formic acid 13.32
    diethyl ether 1.19
    m-xylene 0.36
    p-xylene 0.43
    chlorobenzene 0.55
    dimethyl carbonate 9.32
    n-octane 0.04
    formamide 30.94
    cyclopentanone 26.63
    2-pentanone 4.04
    anisole 1.74
    cyclopentyl methyl ether 2.77
    gamma-butyrolactone 32.57
    1-methoxy-2-propanol 21.46
    pyridine 11.66
    3-pentanone 3.79
    furfural 28.13
    n-dodecane 0.06
    diethylene glycol 23.66
    diisopropyl ether 0.23
    tert-amyl alcohol 0.95
    acetylacetone 9.62
    n-hexadecane 0.07
    acetophenone 3.89
    methyl propionate 5.87
    isopentyl acetate 1.77
    trichloroethylene 2.43
    n-nonanol 1.53
    cyclohexanol 1.01
    benzyl alcohol 2.78
    2-ethylhexanol 0.57
    isooctanol 0.95
    dipropyl ether 1.6
    1,2-dichlorobenzene 0.57
    ethyl lactate 5.77
    propylene carbonate 7.29
    n-methylformamide 38.03
    2-pentanol 0.61
    n-pentane 0.02
    1-propoxy-2-propanol 9.84
    1-methoxy-2-propyl acetate 7.08
    2-(2-methoxypropoxy) propanol 9.41
    mesitylene 0.21
    ε-caprolactone 10.11
    p-cymene 0.4
    epichlorohydrin 17.02
    1,1,1-trichloroethane 0.29
    2-aminoethanol 7.5
    morpholine-4-carbaldehyde 93.16
    sulfolane 39.37
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.44
    n-hexyl acetate 3.1
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 13.76
    sec-butyl acetate 1.47
    tert-butyl acetate 1.75
    decalin 0.02
    glycerin 24.82
    diglyme 25.85
    acrylic acid 9.91
    isopropyl myristate 1.41
    n-butyric acid 2.83
    acetyl acetate 2.02
    di(2-ethylhexyl) phthalate 2.28
    ethyl propionate 2.65
    nitromethane 31.42
    1,2-diethoxyethane 5.12
    benzonitrile 3.89
    trioctyl phosphate 1.67
    1-bromopropane 0.34
    gamma-valerolactone 63.42
    n-decanol 1.22
    triethyl phosphate 1.65
    4-methyl-2-pentanol 0.31
    propionitrile 4.75
    vinylene carbonate 8.16
    1,1,2-trichlorotrifluoroethane 18.04
    DMS 5.32
    cumene 0.17
    2-octanol 0.9
    2-hexanone 3.52
    octyl acetate 2.27
    limonene 0.47
    1,2-dimethoxyethane 22.4
    ethyl orthosilicate 1.33
    tributyl phosphate 1.72
    diacetone alcohol 6.46
    N,N-dimethylaniline 1.4
    acrylonitrile 12.77
    aniline 1.93
    1,3-propanediol 7.02
    bromobenzene 0.34
    dibromomethane 0.39
    1,1,2,2-tetrachloroethane 2.01
    2-methyl-cyclohexyl acetate 2.23
    tetrabutyl urea 4.55
    diisobutyl methanol 0.38
    2-phenylethanol 2.94
    styrene 0.33
    dioctyl adipate 2.96
    dimethyl sulfate 15.67
    ethyl butyrate 2.65
    methyl lactate 14.75
    butyl lactate 5.44
    diethyl carbonate 1.95
    propanediol butyl ether 9.73
    triethyl orthoformate 2.55
    p-tert-butyltoluene 0.34
    methyl 4-tert-butylbenzoate 5.2
    morpholine 19.44
    tert-butylamine 0.29
    n-dodecanol 0.9
    dimethoxymethane 33.43
    ethylene carbonate 5.86
    cyrene 16.89
    2-ethoxyethyl acetate 8.1
    2-ethylhexyl acetate 1.54
    1,2,4-trichlorobenzene 1.07
    4-methylpyridine 6.37
    dibutyl ether 1.25
    2,6-dimethyl-4-heptanol 0.38
    DEF 11.49
    dimethyl isosorbide 18.64
    tetrachloroethylene 0.98
    eugenol 7.87
    triacetin 7.17
    span 80 6.9
    1,4-butanediol 3.43
    1,1-dichloroethane 0.48
    2-methyl-1-pentanol 0.57
    methyl formate 26.94
    2-methyl-1-butanol 0.76
    n-decane 0.09
    butyronitrile 2.23
    3,7-dimethyl-1-octanol 0.79
    1-chlorooctane 0.36
    1-chlorotetradecane 0.2
    n-nonane 0.07
    undecane 0.07
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 2.59
    tetrahydropyran 3.26
    tert-amyl methyl ether 0.72
    2,5,8-trioxanonane 19.69
    1-hexene 0.1
    2-isopropoxyethanol 6.46
    2,2,2-trifluoroethanol 5.37
    methyl butyrate 3.81

    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