Sulfan Blue

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  • Identifiers

    CAS number
    129-17-9

    Molecular formula
    C27H31N2NaO6S2

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 54.67%
    Savory 22.43%
    Roasted 22.32%
    Cooked 20.55%
    Meaty 18.56%
    Fruity 18.5%
    Fresh 18.2%
    Citrus 16.78%
    Bitter 16.47%
    Cooling 16.46%

     

    Flavor
    Bitter 81.64%
    Odorless 23.92%
    Nitrile 19.93%
    Cedarleaf 18.42%
    Lovage 18.29%
    Bland 18.16%
    Oriental 17.85%
    Taco 17.78%
    Heather 17.63%
    Basil 17.6%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.12 (weak acid)

    Molecular weight
    566.7 g/mol

    Flash point

    • 316.83 ˚C est.

    Solubility expt.

    • Soluble (>=10 mg/ml at 70 °F) (NTP, 1992)
    • ONE G DISSOLVES IN 20 ML WATER @ 20 °C; PARTLY SOL IN ALCOHOL
    • 30 mg/ml in water; 30 mg/ml in 2-methoxyethanol; 7 mg/ml in ethanol

  • Synonyms

    • Patent Blue VF
    • Sulfan Blue
    • Blue VRS
    • Bleu patente V
    • Acid Blue V
    • Sulphanblau
    • Disulphen Blau
    • Disulphine VN
    • Alphazurine 2G
    • Hidacid Blue V
    • Leather Blue G
    • Amacid Blue V
    • Carmine Blue VF
    • Carmin Blue VS
    • Fenazo Blue XF
    • Patent Blue VS
    • Xylene Blue VS
    • C.I. Food Blue 3
    • Erioglaucine Supra
    • Hexaco Blue VRS
    • Sodium Blue VRS
    • Hexacol Blue VRS
    • Brilliant Blue GS
    • Disulfine Blue VN
    • Merantine Blue VF
    • Blue URS
    • Disulphine Blue VN
    • Kiton Pure Blue V
    • Acid bright azure Z
    • Patent Blue VF-CF
    • Acid Leather Blue V
    • C.I. Acid Blue 1, sodium salt
    • Intracid Pure Blue V
    • Sodium Patent Blue V
    • Edicol Supra Blue VR
    • Lissamine turquoise VN
    • Acid Brilliant Blue Z
    • Erio Brilliant Blue V
    • Patentblau V
    • Acid Brilliant Blue VF
    • Brilliant Acid Blue VS
    • Bucacid Patent Blue VF
    • Kiton Pure Blue V FQ
    • Kiton Pure Blue V.FQ
    • Patent Blue VF Special
    • Tetracid Carmine Blue V
    • Tertracid Carmine Blue V
    • Modr Kysela 1
    • Pontacyl Brilliant Blue V
    • Disulphine Blue VN 150
    • 1085 Blue
    • Blue 1084
    • Acid Brilliant Sky Blue Z
    • Sulfacid Brilliant Blue 6J
    • Brilliant Acid Blue V Extra
    • Modr Potravinarska 3
    • Brilliant Acid Blue A Export
    • Schultz Nr. 826
    • Sumitomo Patent Pure Blue VX
    • Aizen Brilliant Acid Pure Blue VH
    • C.I. 42045
    • FH1929ICIT
    • DTXSID3026065
    • DTXCID406065
    • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, sodium salt
    • N-(4-((4-(Diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium, hydroxide, inner salt, sodium salt
    • Disulfine blue
    • SODIUM 4-((4-(DIETHYLAMINO)PHENYL)(4-(DIETHYLIMINIO)CYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL)BENZENE-1,3-DISULPHONATE
    • Disulphine blue
    • bleu patent V
    • blue patent violet
    • RefChem:572432
    • 204-934-1
    • sodium;4-((4-(diethylamino)phenyl)-(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)methyl)benzene-1,3-disulfonate
    • (4-(alpha-(p-(diethylamino)phenyl)-2,4-disulfobenzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium hydroxide inner salt sodium salt
    • Food Blue 3
    • Patent Blue Violet
    • Sulphan blue
    • 129-17-9
    • Acid blue 1
    • sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate
    • 30586-15-3
    • MFCD00012119
    • Patentblau V [German]
    • Modr Kysela 1 [Czech]
    • CCRIS 96
    • Benzenesulfonic acid,[[4-[[4-(phenylimino)-2,5-cyclohexadien-1-ylidene][4-[(sulfophenyl)amino]phenyl]methyl]phenyl]amino]-, monosodium salt
    • Hydrogen 4-4-(Diethylamino)-2',4'-disulphonatobenzhydrylidenecyclohexa-2,5-dien-1-ylidenediethylammonium
    • Modr Potravinarska 3 [Czech]
    • Schultz Nr. 826 [German]
    • (Sodium) Blue VRS
    • HSDB 5476
    • EINECS 204-934-1
    • UNII-FH1929ICIT
    • PatentBlueVF
    • Sodium 4-((4-(diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzene-1,3-disulfonate
    • Sodium 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}benzene-1,3-disulfonate
    • SULPHAN BLUE [MI]
    • 4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt
    • Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt
    • SCHEMBL94084
    • (4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz
    • Ammonium, (4-(alpha-(p-(diethylamino)phenyl)-2,4-disulfobenzylidene)-2,5-cyclohexadien-1-ylidene)diethyl-, hydroxide, monosodium salt
    • MLS001359843
    • SCHEMBL340854
    • SULPHAN BLUE [MART.]
    • SULPHAN BLUE [WHO-DD]
    • CHEMBL1731183
    • SCHEMBL29356648
    • CHEBI:34906
    • MSK5801
    • HMS3070N21
    • C.I. FOOD BLUE 3 [HSDB]
    • Tox21_302151
    • AKOS000283042
    • AKOS015903344
    • AKOS024285058
    • FA40367
    • NCGC00255111-01
    • CAS-129-17-9
    • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, sodium salt
    • Hydrogen (4-(4-(diethylamino)-2',4'-disulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, sodium salt
    • N-(4-((4-(Diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-c- yclohexadien-1-ylidene)-N-ethylethanaminium, hydroxide, inner salt, sodium salt
    • SMR001224390
    • ST080676
    • NS00079128
    • Q27116317
    • 129-17-9

  • Applications

    Sulfan Blue (CAS 129-17-9) is used primarily as a colorant in dye chemistry. In industrial practice, it is employed for textile dyeing and printing, as a pigment additive in inks and coatings, and as a colorant in plastics and polymer formulations; it can also serve as an intermediate in organic synthesis for pigment and dye production. Use and formulation should comply with applicable local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.22
    methanol 3.09
    isopropanol 0.65
    water 0.01
    ethyl acetate 2.61
    n-propanol 1.19
    acetone 5.18
    n-butanol 0.65
    acetonitrile 2.26
    DMF 47.15
    toluene 0.45
    isobutanol 0.56
    1,4-dioxane 3.54
    methyl acetate 5.13
    THF 6.41
    2-butanone 6.28
    n-pentanol 0.47
    sec-butanol 0.79
    n-hexane 0.02
    ethylene glycol 0.95
    NMP 63.78
    cyclohexane 0.02
    DMSO 14.66
    n-butyl acetate 1.34
    n-octanol 0.15
    chloroform 13.34
    n-propyl acetate 1.82
    acetic acid 6.76
    dichloromethane 13.28
    cyclohexanone 5.72
    propylene glycol 1.64
    isopropyl acetate 1.36
    DMAc 74.5
    2-ethoxyethanol 4.36
    isopentanol 0.39
    n-heptane 0.02
    ethyl formate 2.8
    1,2-dichloroethane 4.88
    n-hexanol 0.25
    2-methoxyethanol 8.6
    isobutyl acetate 0.68
    tetrachloromethane 0.54
    n-pentyl acetate 1.1
    transcutol 5.08
    n-heptanol 0.23
    ethylbenzene 0.21
    MIBK 0.94
    2-propoxyethanol 4.11
    tert-butanol 0.49
    MTBE 0.58
    2-butoxyethanol 2.13
    propionic acid 4.26
    o-xylene 0.39
    formic acid 5.75
    diethyl ether 0.9
    m-xylene 0.25
    p-xylene 0.33
    chlorobenzene 1.3
    dimethyl carbonate 5.86
    n-octane 0.01
    formamide 10.57
    cyclopentanone 11.73
    2-pentanone 2.58
    anisole 1.36
    cyclopentyl methyl ether 1.17
    gamma-butyrolactone 16.11
    1-methoxy-2-propanol 5.88
    pyridine 6.18
    3-pentanone 3.23
    furfural 16.27
    n-dodecane 0.01
    diethylene glycol 3.4
    diisopropyl ether 0.15
    tert-amyl alcohol 0.64
    acetylacetone 5.16
    n-hexadecane 0.01
    acetophenone 2.74
    methyl propionate 5.16
    isopentyl acetate 0.96
    trichloroethylene 20.38
    n-nonanol 0.18
    cyclohexanol 0.53
    benzyl alcohol 1.48
    2-ethylhexanol 0.19
    isooctanol 0.18
    dipropyl ether 0.55
    1,2-dichlorobenzene 1.72
    ethyl lactate 2.37
    propylene carbonate 5.49
    n-methylformamide 13.97
    2-pentanol 0.34
    n-pentane 0.02
    1-propoxy-2-propanol 2.48
    1-methoxy-2-propyl acetate 3.14
    2-(2-methoxypropoxy) propanol 3.09
    mesitylene 0.13
    ε-caprolactone 6.11
    p-cymene 0.14
    epichlorohydrin 13.36
    1,1,1-trichloroethane 2.49
    2-aminoethanol 1.88
    morpholine-4-carbaldehyde 31.51
    sulfolane 24.14
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.19
    n-hexyl acetate 0.83
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.5
    sec-butyl acetate 0.99
    tert-butyl acetate 1.12
    decalin 0.02
    glycerin 4.38
    diglyme 6.97
    acrylic acid 6.61
    isopropyl myristate 0.29
    n-butyric acid 2.93
    acetyl acetate 2.49
    di(2-ethylhexyl) phthalate 0.85
    ethyl propionate 2.0
    nitromethane 22.75
    1,2-diethoxyethane 1.39
    benzonitrile 1.47
    trioctyl phosphate 0.37
    1-bromopropane 1.08
    gamma-valerolactone 23.92
    n-decanol 0.12
    triethyl phosphate 1.24
    4-methyl-2-pentanol 0.16
    propionitrile 1.86
    vinylene carbonate 7.82
    1,1,2-trichlorotrifluoroethane 23.09
    DMS 3.14
    cumene 0.13
    2-octanol 0.13
    2-hexanone 1.79
    octyl acetate 0.48
    limonene 0.19
    1,2-dimethoxyethane 7.7
    ethyl orthosilicate 0.99
    tributyl phosphate 0.51
    diacetone alcohol 2.29
    N,N-dimethylaniline 1.04
    acrylonitrile 4.5
    aniline 1.32
    1,3-propanediol 1.87
    bromobenzene 1.2
    dibromomethane 4.2
    1,1,2,2-tetrachloroethane 12.16
    2-methyl-cyclohexyl acetate 1.22
    tetrabutyl urea 1.09
    diisobutyl methanol 0.11
    2-phenylethanol 1.09
    styrene 0.34
    dioctyl adipate 0.96
    dimethyl sulfate 16.13
    ethyl butyrate 1.57
    methyl lactate 6.32
    butyl lactate 1.8
    diethyl carbonate 1.41
    propanediol butyl ether 1.58
    triethyl orthoformate 1.43
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.79
    morpholine 5.65
    tert-butylamine 0.18
    n-dodecanol 0.08
    dimethoxymethane 11.24
    ethylene carbonate 4.26
    cyrene 6.56
    2-ethoxyethyl acetate 3.27
    2-ethylhexyl acetate 0.81
    1,2,4-trichlorobenzene 3.28
    4-methylpyridine 3.81
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.11
    DEF 7.53
    dimethyl isosorbide 6.0
    tetrachloroethylene 6.21
    eugenol 3.12
    triacetin 3.45
    span 80 1.93
    1,4-butanediol 0.77
    1,1-dichloroethane 3.15
    2-methyl-1-pentanol 0.39
    methyl formate 9.79
    2-methyl-1-butanol 0.57
    n-decane 0.01
    butyronitrile 1.02
    3,7-dimethyl-1-octanol 0.14
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.06
    tetrahydropyran 1.37
    tert-amyl methyl ether 0.65
    2,5,8-trioxanonane 4.68
    1-hexene 0.11
    2-isopropoxyethanol 2.13
    2,2,2-trifluoroethanol 4.57
    methyl butyrate 2.77

    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