Basic Blue 99

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  • Identifiers

    CAS number
    68123-13-7

    Molecular formula
    C19H20BrClN4O2

    SMILES
    C[N+](C)(C)C1=CC=CC(=C1)N=C2C=C(C3=C(C2=O)C(=CC(=C3O)Br)N)N.[Cl-]

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Odorless 37.2%
    Fruity 34.91%
    Burnt 23.31%
    Savory 22.03%
    Dry 21.81%
    Bitter 21.46%
    Grape 20.45%
    Animal 19.66%
    Meaty 19.61%
    Phenolic 19.58%

     

    Flavor
    Bitter 85.11%
    Odorless 27.01%
    Bland 21.19%
    Cedarleaf 19.73%
    Nitrile 19.63%
    Very strong 18.81%
    Sweet-like 18.6%
    Indole 18.28%
    Bread crust 18.15%
    Taco 18.13%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.54 (neutral)

    Molecular weight
    451.7 g/mol

    Flash point

    • 84.4 ˚C est.

  • Synonyms

    • Basic blue 99
    • 68123-13-7
    • C.I. Basic Blue 99
    • Jarocol Steel Blue
    • P0U7VBC51E
    • CI 56059
    • DTXSID60874042
    • ARIANOR STEEL BLUE 306004
    • Benzenaminium, 3-((4-amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphthalenyl)amino)-N,N,N-trimethyl-, chloride
    • Benzenaminium, 3-((4-amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphthalenyl)amino)-N,N,N-trimethyl-, chloride (1:1)
    • RefChem:116616
    • DTXCID801012177
    • 268-544-3
    • [3-[(4,8-diamino-6-bromo-5-hydroxy-1-oxonaphthalen-2-ylidene)amino]phenyl]-trimethylazanium;chloride
    • 3-((4-Amino-6-bromo-1-hydroxy-8-imino-5-oxo-5,8-dihydronaphthalen-2-yl)amino)-N,N,N-trimethylbenzenaminium chloride
    • BASICBLUE99
    • UNII-P0U7VBC51E
    • Arianor Steel Blue
    • EINECS 268-544-3
    • SCHEMBL456881
    • SCHEMBL1086922
    • SCHEMBL29354059
    • SCHEMBL29829227
    • CS-0434156
    • NS00013379
    • G72777
    • Q27285971
    • [3-[(4,8-diamino-6-bromo-1,5-dioxonaphthalen-2-yl)amino]phenyl]-trimethylazanium,chloride
    • 3-((4-Amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphtha- lenyl)amino)-N,N,N-trimethylbenzenaminium chloride
    • 3-((4-Amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphtyl)amino)-N,N,N-trimethylanilinium chloride
    • 3-[(4-Amino-6-bromo-1-hydroxy-8-imino-5-oxo-5,8-dihydronaphthalen-2-yl)amino]-N,N,N-trimethylanilinium chloride
    • Benzenaminium, 3-((4-amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphtha- lenyl)amino)-N,N,N-trimethyl-, chloride
    • 68123-13-7

  • Applications

    Basic Blue 99 (CAS 68123-13-7) is a cationic dye used primarily for textile dyeing, particularly on protein fibers and certain synthetic substrates, to impart a blue coloration. It is also employed as a colorant for paper and board in industrial applications, and for leather dyeing to achieve blue tones. In coatings and inks, it serves as a dye/colorant, and it can be used to color plastics and polymer systems as a colorant. Additionally, it may function as an intermediate in dye and pigment synthesis. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.29
    methanol 3.43
    isopropanol 1.1
    water 0.02
    ethyl acetate 2.05
    n-propanol 1.99
    acetone 4.07
    n-butanol 1.25
    acetonitrile 2.28
    DMF 33.25
    toluene 0.25
    isobutanol 1.07
    1,4-dioxane 2.47
    methyl acetate 3.39
    THF 15.59
    2-butanone 4.02
    n-pentanol 1.12
    sec-butanol 0.79
    n-hexane 0.01
    ethylene glycol 2.62
    NMP 22.75
    cyclohexane 0.01
    DMSO 35.08
    n-butyl acetate 2.24
    n-octanol 0.54
    chloroform 7.43
    n-propyl acetate 1.99
    acetic acid 8.67
    dichloromethane 5.35
    cyclohexanone 4.21
    propylene glycol 2.25
    isopropyl acetate 1.11
    DMAc 34.2
    2-ethoxyethanol 7.8
    isopentanol 0.91
    n-heptane 0.02
    ethyl formate 5.12
    1,2-dichloroethane 2.87
    n-hexanol 1.2
    2-methoxyethanol 17.7
    isobutyl acetate 1.1
    tetrachloromethane 0.64
    n-pentyl acetate 1.83
    transcutol 5.18
    n-heptanol 1.03
    ethylbenzene 0.15
    MIBK 1.24
    2-propoxyethanol 10.9
    tert-butanol 1.06
    MTBE 0.35
    2-butoxyethanol 6.23
    propionic acid 3.45
    o-xylene 0.17
    formic acid 11.48
    diethyl ether 0.45
    m-xylene 0.18
    p-xylene 0.26
    chlorobenzene 0.92
    dimethyl carbonate 5.02
    n-octane 0.01
    formamide 13.41
    cyclopentanone 13.97
    2-pentanone 2.39
    anisole 0.94
    cyclopentyl methyl ether 1.27
    gamma-butyrolactone 20.72
    1-methoxy-2-propanol 9.06
    pyridine 5.16
    3-pentanone 1.55
    furfural 20.86
    n-dodecane 0.01
    diethylene glycol 12.74
    diisopropyl ether 0.07
    tert-amyl alcohol 0.78
    acetylacetone 4.47
    n-hexadecane 0.01
    acetophenone 2.34
    methyl propionate 3.79
    isopentyl acetate 1.84
    trichloroethylene 10.59
    n-nonanol 0.6
    cyclohexanol 0.53
    benzyl alcohol 2.23
    2-ethylhexanol 0.61
    isooctanol 0.75
    dipropyl ether 0.62
    1,2-dichlorobenzene 1.18
    ethyl lactate 3.53
    propylene carbonate 8.12
    n-methylformamide 15.72
    2-pentanol 0.41
    n-pentane 0.01
    1-propoxy-2-propanol 5.35
    1-methoxy-2-propyl acetate 4.66
    2-(2-methoxypropoxy) propanol 4.16
    mesitylene 0.1
    ε-caprolactone 4.83
    p-cymene 0.28
    epichlorohydrin 18.32
    1,1,1-trichloroethane 2.11
    2-aminoethanol 4.14
    morpholine-4-carbaldehyde 18.91
    sulfolane 29.89
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.39
    n-hexyl acetate 1.35
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.72
    sec-butyl acetate 0.82
    tert-butyl acetate 1.12
    decalin 0.01
    glycerin 7.9
    diglyme 9.43
    acrylic acid 5.62
    isopropyl myristate 0.48
    n-butyric acid 4.21
    acetyl acetate 1.85
    di(2-ethylhexyl) phthalate 1.53
    ethyl propionate 1.72
    nitromethane 21.93
    1,2-diethoxyethane 1.28
    benzonitrile 2.56
    trioctyl phosphate 1.09
    1-bromopropane 0.72
    gamma-valerolactone 23.13
    n-decanol 0.42
    triethyl phosphate 1.57
    4-methyl-2-pentanol 0.29
    propionitrile 2.32
    vinylene carbonate 8.46
    1,1,2-trichlorotrifluoroethane 31.2
    DMS 2.38
    cumene 0.13
    2-octanol 0.46
    2-hexanone 2.14
    octyl acetate 0.87
    limonene 0.26
    1,2-dimethoxyethane 8.89
    ethyl orthosilicate 1.18
    tributyl phosphate 1.13
    diacetone alcohol 4.19
    N,N-dimethylaniline 0.8
    acrylonitrile 5.43
    aniline 1.24
    1,3-propanediol 5.25
    bromobenzene 0.67
    dibromomethane 2.25
    1,1,2,2-tetrachloroethane 7.1
    2-methyl-cyclohexyl acetate 1.63
    tetrabutyl urea 1.92
    diisobutyl methanol 0.27
    2-phenylethanol 2.71
    styrene 0.2
    dioctyl adipate 1.24
    dimethyl sulfate 12.64
    ethyl butyrate 1.78
    methyl lactate 7.5
    butyl lactate 3.24
    diethyl carbonate 1.61
    propanediol butyl ether 3.99
    triethyl orthoformate 1.58
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 3.31
    morpholine 5.44
    tert-butylamine 0.28
    n-dodecanol 0.28
    dimethoxymethane 11.03
    ethylene carbonate 5.44
    cyrene 9.15
    2-ethoxyethyl acetate 3.63
    2-ethylhexyl acetate 1.29
    1,2,4-trichlorobenzene 2.17
    4-methylpyridine 3.33
    dibutyl ether 0.3
    2,6-dimethyl-4-heptanol 0.27
    DEF 4.5
    dimethyl isosorbide 8.87
    tetrachloroethylene 4.26
    eugenol 5.16
    triacetin 2.76
    span 80 3.44
    1,4-butanediol 2.29
    1,1-dichloroethane 1.86
    2-methyl-1-pentanol 0.82
    methyl formate 13.57
    2-methyl-1-butanol 0.9
    n-decane 0.02
    butyronitrile 1.97
    3,7-dimethyl-1-octanol 0.43
    1-chlorooctane 0.16
    1-chlorotetradecane 0.07
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.64
    tetrahydropyran 1.15
    tert-amyl methyl ether 0.36
    2,5,8-trioxanonane 6.45
    1-hexene 0.08
    2-isopropoxyethanol 3.52
    2,2,2-trifluoroethanol 6.77
    methyl butyrate 2.95

    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