Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-S-triazin-2-yl)amino)-2,2'-stilbenedisulfonate

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  • Identifiers

    CAS number
    27344-06-5

    Molecular formula
    C42H44N14Na2O10S2

    SMILES
    C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCC(=O)N)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCC(=O)N)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 65.96%
    Savory 35.04%
    Meaty 28.16%
    Cooked 26.9%
    Grape 23.01%
    Cooling 20.76%
    Milky 19.78%
    Bitter 18.32%
    Cheesy 17.76%
    Animal 17.65%

     

    Flavor
    Bitter 87.52%
    Odorless 45.52%
    Bland 28.4%
    Mild 22.11%
    Sweet-like 19.77%
    Nitrile 19.65%
    Cedarleaf 18.18%
    Very strong 17.87%
    Yeast 17.8%
    Bread crust 17.78%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    3.28 (weak acid)

    Molecular weight
    1015.0 g/mol

    Flash point

    • 454.67 ˚C est.

  • Synonyms

    • EINECS 248-420-5
    • 30I2S866LK
    • Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-S-triazin-2-yl)amino)-2,2'-stilbenedisulfonate
    • EC 248-420-5
    • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt
    • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((3-amino-3-oxopropyl)(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
    • Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-1,3,5,-triazin-2-yl)amino)stilbene-2,2'-disulphonate
    • Disodium 4,4'-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'-disulphonate
    • 2,2'-STILBENEDISULFONIC ACID, 4,4'-BIS((4-ANILINO-6-((2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO)-S-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT
    • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
    • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
    • BENZENESULFONIC ACID, 2,2'-(1E)-1,2-ETHENEDIYLBIS(5-((4-((3-AMINO-3-OXOPROPYL)(2-HYDROXYETHYL)AMINO)-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, SODIUM SALT (1:2)
    • RefChem:589346
    • 27344-06-5
    • UNII-30I2S866LK
    • SCHEMBL4248883
    • Q27255955
    • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt
    • 27344-06-5

  • Applications

    Disodium 4,4'-bis((4-anilino-6-((2-carbamoylethyl)(2-hydroxyethyl)amino)-S-triazin-2-yl)amino)-2,2'-stilbenedisulfonate (CAS 27344-06-5) is typically used as a dye-related intermediate and water-soluble colorant in several industries. It can serve as a dye precursor for textile coloration and printing inks, leveraging its reactive triazine moieties to enable attachment to polymeric substrates; it may also function as a fluorescent whitening/dye additive in paper, detergents, and coatings, and find uses as a colorant in polymers and plastics where durable, water-soluble coloration is desired. Formulation-specific properties and regulatory compliance govern its exact applications and restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.9
    methanol 4.47
    isopropanol 0.52
    water 0.05
    ethyl acetate 0.68
    n-propanol 1.08
    acetone 2.89
    n-butanol 0.63
    acetonitrile 0.93
    DMF 12.44
    toluene 0.14
    isobutanol 0.33
    1,4-dioxane 1.39
    methyl acetate 1.38
    THF 4.48
    2-butanone 3.18
    n-pentanol 0.25
    sec-butanol 0.44
    n-hexane 0.0
    ethylene glycol 1.25
    NMP 18.57
    cyclohexane 0.01
    DMSO 12.68
    n-butyl acetate 0.36
    n-octanol 0.06
    chloroform 1.79
    n-propyl acetate 0.35
    acetic acid 4.97
    dichloromethane 2.09
    cyclohexanone 2.79
    propylene glycol 1.67
    isopropyl acetate 0.2
    DMAc 15.15
    2-ethoxyethanol 1.93
    isopentanol 0.2
    n-heptane 0.0
    ethyl formate 2.34
    1,2-dichloroethane 1.01
    n-hexanol 0.11
    2-methoxyethanol 6.78
    isobutyl acetate 0.08
    tetrachloromethane 0.13
    n-pentyl acetate 0.23
    transcutol 1.21
    n-heptanol 0.1
    ethylbenzene 0.03
    MIBK 0.2
    2-propoxyethanol 1.48
    tert-butanol 0.18
    MTBE 0.08
    2-butoxyethanol 0.93
    propionic acid 2.13
    o-xylene 0.06
    formic acid 7.87
    diethyl ether 0.24
    m-xylene 0.04
    p-xylene 0.04
    chlorobenzene 0.22
    dimethyl carbonate 0.98
    n-octane 0.0
    formamide 9.96
    cyclopentanone 6.65
    2-pentanone 1.12
    anisole 0.15
    cyclopentyl methyl ether 0.29
    gamma-butyrolactone 7.69
    1-methoxy-2-propanol 2.28
    pyridine 3.2
    3-pentanone 0.83
    furfural 8.1
    n-dodecane 0.0
    diethylene glycol 1.58
    diisopropyl ether 0.01
    tert-amyl alcohol 0.18
    acetylacetone 1.23
    n-hexadecane 0.0
    acetophenone 0.39
    methyl propionate 1.19
    isopentyl acetate 0.15
    trichloroethylene 2.7
    n-nonanol 0.06
    cyclohexanol 0.23
    benzyl alcohol 0.41
    2-ethylhexanol 0.04
    isooctanol 0.04
    dipropyl ether 0.1
    1,2-dichlorobenzene 0.15
    ethyl lactate 0.49
    propylene carbonate 1.96
    n-methylformamide 8.63
    2-pentanol 0.14
    n-pentane 0.01
    1-propoxy-2-propanol 0.67
    1-methoxy-2-propyl acetate 0.48
    2-(2-methoxypropoxy) propanol 0.61
    mesitylene 0.01
    ε-caprolactone 2.15
    p-cymene 0.02
    epichlorohydrin 5.23
    1,1,1-trichloroethane 0.3
    2-aminoethanol 1.97
    morpholine-4-carbaldehyde 8.12
    sulfolane 11.52
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.88
    n-hexyl acetate 0.16
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.79
    sec-butyl acetate 0.11
    tert-butyl acetate 0.11
    decalin 0.0
    glycerin 4.01
    diglyme 1.59
    acrylic acid 3.43
    isopropyl myristate 0.04
    n-butyric acid 1.66
    acetyl acetate 0.4
    di(2-ethylhexyl) phthalate 0.13
    ethyl propionate 0.31
    nitromethane 8.95
    1,2-diethoxyethane 0.26
    benzonitrile 0.41
    trioctyl phosphate 0.08
    1-bromopropane 0.29
    gamma-valerolactone 13.49
    n-decanol 0.04
    triethyl phosphate 0.14
    4-methyl-2-pentanol 0.03
    propionitrile 0.8
    vinylene carbonate 2.49
    1,1,2-trichlorotrifluoroethane 7.61
    DMS 0.25
    cumene 0.01
    2-octanol 0.04
    2-hexanone 0.5
    octyl acetate 0.09
    limonene 0.02
    1,2-dimethoxyethane 2.25
    ethyl orthosilicate 0.09
    tributyl phosphate 0.1
    diacetone alcohol 0.47
    N,N-dimethylaniline 0.08
    acrylonitrile 1.84
    aniline 0.5
    1,3-propanediol 2.4
    bromobenzene 0.13
    dibromomethane 0.82
    1,1,2,2-tetrachloroethane 1.71
    2-methyl-cyclohexyl acetate 0.12
    tetrabutyl urea 0.24
    diisobutyl methanol 0.01
    2-phenylethanol 0.23
    styrene 0.05
    dioctyl adipate 0.14
    dimethyl sulfate 2.18
    ethyl butyrate 0.27
    methyl lactate 2.03
    butyl lactate 0.46
    diethyl carbonate 0.19
    propanediol butyl ether 0.64
    triethyl orthoformate 0.17
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.23
    morpholine 2.72
    tert-butylamine 0.05
    n-dodecanol 0.03
    dimethoxymethane 2.87
    ethylene carbonate 1.45
    cyrene 1.34
    2-ethoxyethyl acetate 0.53
    2-ethylhexyl acetate 0.12
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 1.35
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.01
    DEF 1.83
    dimethyl isosorbide 0.86
    tetrachloroethylene 1.01
    eugenol 0.43
    triacetin 0.3
    span 80 0.42
    1,4-butanediol 0.58
    1,1-dichloroethane 0.51
    2-methyl-1-pentanol 0.11
    methyl formate 5.98
    2-methyl-1-butanol 0.26
    n-decane 0.0
    butyronitrile 0.61
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.64
    tetrahydropyran 0.67
    tert-amyl methyl ether 0.08
    2,5,8-trioxanonane 1.03
    1-hexene 0.03
    2-isopropoxyethanol 0.49
    2,2,2-trifluoroethanol 2.61
    methyl butyrate 0.61

    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