Acid blue 104

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  • Identifiers

    CAS number
    6505-30-2

    Molecular formula
    C43H49N3NaO6S2+

    SMILES
    CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC)C=C3)C4=C(C=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-])C)C.[Na+]

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 45.8%
    Fresh 24.7%
    Savory 24.03%
    Fruity 23.01%
    Grape 22.94%
    Citrus 22.6%
    Fatty 22.2%
    Cooked 21.37%
    Roasted 20.89%
    Meaty 20.28%

     

    Flavor
    Bitter 83.48%
    Odorless 24.51%
    Bland 19.92%
    Nitrile 19.82%
    Cedarleaf 18.95%
    Lovage 18.15%
    Heather 18.09%
    Oriental 17.88%
    Genet 17.87%
    Broom 17.87%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.49 (weak acid)

    Molecular weight
    791.0 g/mol

    Flash point

    • 345.58 ˚C est.

  • Synonyms

    • C.I. Acid Blue 104
    • 6505-30-2
    • Acid blue 104
    • DTXSID70904405
    • EINECS 229-390-2
    • CI 42735
    • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt
    • Hydrogen (4-((4-(diethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt
    • RefChem:317029
    • DTXCID901333558
    • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)ami-no)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-yliden-e)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt
    • N-(4-((4-(Diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)ami-no)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-yliden-e)-N-ethyl-3-sulfobenzenemethanaminium hydroxide, inner salt, sodium salt
    • sodium;3-[[4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
    • RAMNYUMITLZMIC-UHFFFAOYSA-N
    • C.I. Acid Blue 104, sodium salt
    • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)ami- no)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-yliden- e)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt
    • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
    • N-(4-((4-(Diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)ami- no)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-yliden- e)-N-ethyl-3-sulfobenzenemethanaminium hydroxide, inner salt, sodium salt
    • 6505-30-2

  • Applications

    Acid blue 104 (CAS 6505-30-2) is primarily used as an acid dye for coloring fibers such as wool and silk, with lesser but relevant application on some synthetic fibers like nylon in textile dyeing and finishing processes. It is commonly incorporated into dyeing and printing formulations to impart blue coloration on these fibers with reasonable wash and light fastness. The dye is also used for leather dyeing and finishing, providing blue shades on leather products. In coatings and inks, it serves as a colorant for specialty coatings and water-based ink systems used in textile-related applications. Additionally, it may be used as a colorant in polymer-containing systems where polyamide components are present, enabling consistent coloration in nylon-containing plastics or composites. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.26
    methanol 0.44
    isopropanol 0.13
    water 0.0
    ethyl acetate 0.32
    n-propanol 0.28
    acetone 0.68
    n-butanol 0.17
    acetonitrile 0.19
    DMF 4.25
    toluene 0.15
    isobutanol 0.13
    1,4-dioxane 0.83
    methyl acetate 0.57
    THF 1.56
    2-butanone 1.12
    n-pentanol 0.16
    sec-butanol 0.18
    n-hexane 0.0
    ethylene glycol 0.08
    NMP 5.98
    cyclohexane 0.0
    DMSO 1.27
    n-butyl acetate 0.29
    n-octanol 0.08
    chloroform 3.68
    n-propyl acetate 0.34
    acetic acid 0.66
    dichloromethane 2.43
    cyclohexanone 1.25
    propylene glycol 0.18
    isopropyl acetate 0.2
    DMAc 7.85
    2-ethoxyethanol 0.86
    isopentanol 0.1
    n-heptane 0.0
    ethyl formate 0.46
    1,2-dichloroethane 0.75
    n-hexanol 0.08
    2-methoxyethanol 1.17
    isobutyl acetate 0.18
    tetrachloromethane 0.14
    n-pentyl acetate 0.4
    transcutol 1.1
    n-heptanol 0.11
    ethylbenzene 0.06
    MIBK 0.22
    2-propoxyethanol 0.92
    tert-butanol 0.09
    MTBE 0.14
    2-butoxyethanol 0.76
    propionic acid 0.45
    o-xylene 0.08
    formic acid 0.45
    diethyl ether 0.17
    m-xylene 0.06
    p-xylene 0.1
    chlorobenzene 0.34
    dimethyl carbonate 0.44
    n-octane 0.0
    formamide 0.73
    cyclopentanone 2.06
    2-pentanone 0.54
    anisole 0.3
    cyclopentyl methyl ether 0.23
    gamma-butyrolactone 1.95
    1-methoxy-2-propanol 0.83
    pyridine 1.53
    3-pentanone 0.5
    furfural 2.57
    n-dodecane 0.0
    diethylene glycol 0.45
    diisopropyl ether 0.02
    tert-amyl alcohol 0.14
    acetylacetone 0.7
    n-hexadecane 0.0
    acetophenone 0.59
    methyl propionate 0.54
    isopentyl acetate 0.23
    trichloroethylene 3.27
    n-nonanol 0.1
    cyclohexanol 0.11
    benzyl alcohol 0.42
    2-ethylhexanol 0.06
    isooctanol 0.07
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.33
    ethyl lactate 0.33
    propylene carbonate 0.67
    n-methylformamide 1.33
    2-pentanol 0.07
    n-pentane 0.0
    1-propoxy-2-propanol 0.59
    1-methoxy-2-propyl acetate 0.56
    2-(2-methoxypropoxy) propanol 0.74
    mesitylene 0.03
    ε-caprolactone 1.11
    p-cymene 0.04
    epichlorohydrin 2.36
    1,1,1-trichloroethane 0.45
    2-aminoethanol 0.23
    morpholine-4-carbaldehyde 4.44
    sulfolane 2.58
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.48
    n-hexyl acetate 0.33
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.7
    sec-butyl acetate 0.18
    tert-butyl acetate 0.18
    decalin 0.0
    glycerin 0.36
    diglyme 1.61
    acrylic acid 0.6
    isopropyl myristate 0.09
    n-butyric acid 0.45
    acetyl acetate 0.24
    di(2-ethylhexyl) phthalate 0.25
    ethyl propionate 0.28
    nitromethane 1.49
    1,2-diethoxyethane 0.37
    benzonitrile 0.36
    trioctyl phosphate 0.12
    1-bromopropane 0.25
    gamma-valerolactone 4.97
    n-decanol 0.06
    triethyl phosphate 0.18
    4-methyl-2-pentanol 0.04
    propionitrile 0.27
    vinylene carbonate 1.01
    1,1,2-trichlorotrifluoroethane 4.08
    DMS 0.41
    cumene 0.04
    2-octanol 0.06
    2-hexanone 0.53
    octyl acetate 0.16
    limonene 0.04
    1,2-dimethoxyethane 1.49
    ethyl orthosilicate 0.16
    tributyl phosphate 0.14
    diacetone alcohol 0.39
    N,N-dimethylaniline 0.23
    acrylonitrile 0.51
    aniline 0.3
    1,3-propanediol 0.3
    bromobenzene 0.29
    dibromomethane 0.88
    1,1,2,2-tetrachloroethane 2.35
    2-methyl-cyclohexyl acetate 0.26
    tetrabutyl urea 0.35
    diisobutyl methanol 0.03
    2-phenylethanol 0.3
    styrene 0.09
    dioctyl adipate 0.25
    dimethyl sulfate 0.94
    ethyl butyrate 0.26
    methyl lactate 0.56
    butyl lactate 0.52
    diethyl carbonate 0.18
    propanediol butyl ether 0.56
    triethyl orthoformate 0.27
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.6
    morpholine 1.26
    tert-butylamine 0.03
    n-dodecanol 0.03
    dimethoxymethane 1.31
    ethylene carbonate 0.57
    cyrene 1.39
    2-ethoxyethyl acetate 0.94
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.58
    4-methylpyridine 1.0
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.03
    DEF 1.11
    dimethyl isosorbide 1.17
    tetrachloroethylene 1.21
    eugenol 0.8
    triacetin 0.6
    span 80 0.55
    1,4-butanediol 0.14
    1,1-dichloroethane 0.64
    2-methyl-1-pentanol 0.11
    methyl formate 0.95
    2-methyl-1-butanol 0.14
    n-decane 0.0
    butyronitrile 0.23
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.21
    tetrahydropyran 0.39
    tert-amyl methyl ether 0.14
    2,5,8-trioxanonane 0.99
    1-hexene 0.03
    2-isopropoxyethanol 0.48
    2,2,2-trifluoroethanol 0.34
    methyl butyrate 0.49

    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