C.I. Basic Brown 1

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  • Identifiers

    CAS number
    1052-38-6

    Molecular formula
    C18H18N8

    SMILES
    C1=CC(=CC(=C1)N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C=C(C=C3)N)N

  • Odor profile

    Fragrance
    Odorless 36.16%
    Meaty 36.04%
    Burnt 29.9%
    Roasted 29.16%
    Cooked 28.76%
    Cheesy 26.49%
    Grape 26.08%
    Fruity 25.39%
    Savory 24.26%
    Ripe 22.76%

     

    Flavor
    Bitter 71.4%
    Odorless 29.28%
    Mild 21.74%
    Roasted 21.38%
    Very strong 21.15%
    Nitrile 20.76%
    Indole 20.63%
    Scallion 20.33%
    Bread crust 19.95%
    Taco 19.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    3.28 (weak acid)

    Molecular weight
    346.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    499°C

    Melting point expt.

    • Starts decomposing at approximately 428 °F (NTP, 1992)

    Flash point

    • 310.13 ˚C est.

    Solubility expt.

    • 1 to 10 mg/mL at 68 °F (NTP, 1992)

  • Synonyms

    • 1052-38-6
    • C.I. Basic Brown 1
    • Bismarck Brown Y
    • Bismark brown Y base
    • Solvent Brown 41
    • BASIC BROWN G
    • EINECS 213-888-1
    • 911CR7FM6S
    • 1,3-Benzenediamine, 4,4'-(1,3-phenylenebis(azo))bis-
    • 1,3-Benzenediamine, 4,4'-[1,3-phenylenebis(azo)]bis-
    • C.I. Solvent Brown 41
    • CI SOLVENT BROWN 41
    • 4,4'-(1,3-Phenylenebis(azo))bisbenzene-1,3-diamine
    • 4,4'-(1,3-Phenylenebis(azo))bis(1,3-benzenediamine)
    • 8005-77-4
    • 1,3-Benzenediamine, 4,4'-(1,3-phenylenebis(2,1-diazenediyl))bis-
    • 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine
    • Bismarck Brown B
    • C.I. 21000:1
    • 4,4'-1,3-Phenylenebis(azo)bisbenzene-1,3-diamine
    • 4,4'-[1,3-Phenylenebis(azo)]bisbenzene-1,3-diamine
    • M-PHENYLENEDIAMINE, 4,4'-(M-PHENYLENEBISAZO)BIS-
    • 4,4'-(1,3-PHENYLENEBIS(AZO))BIS(BENZENE-1,3-DIAMINE)
    • 1,3-Benzenediamine, 4,4'-[1,3-phenylenebis(2,1-diazenediyl)]bis-
    • UNII-911CR7FM6S
    • BISMARCK BROWN G
    • Bismack brown Y- parent
    • Bismark brown Y free base
    • Bismark brown Y (Salt/Mix)
    • BISMACK BROWN Y-PARENT
    • VERONA BASIC BROWN 2R
    • SCHEMBL2465612
    • DTXSID6043753
    • SCHEMBL12954921
    • CHEBI:87654
    • DTXSID80109323
    • BDFZFGDTHFGWRQ-OGGGYYITSA-N
    • BDFZFGDTHFGWRQ-UHFFFAOYSA-N
    • HY-D0311
    • CS-0010251
    • NS00020133
    • NS00077554
    • Q27159807
    • Q27271354
    • 1,3-Bis(2,3-diaminophenylazo)benzene hydrochloride (Salt/Mix)
    • 4,4'-[1,3-phenylenebis(diazene-2,1-diyl)]di(benzene-1,3-diamine)
    • 4,4'-(1,3-PHENYLENEBIS(AZO))BIS-1,3-BENZENEDIAMINE DIHYDROCHLORIDE
    • 4,4'-(1,3-Phenylenebis(diazene-2,1-diyl))bis(benzene-1,3-diamine)
    • 616-873-1

  • Applications

    C.I. Basic Brown 1 is a cationic dye used primarily as a colorant for textile fibers, notably acrylics (polyacrylonitrile) and protein fibers such as wool and silk, as well as for leather dyeing. It is also commonly used as a colorant in printing inks and in coatings and plastics formulations. In some cases, it may serve as an intermediate or component in dye formulation and synthesis. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.27
    methanol 6.59
    isopropanol 3.28
    water 0.03
    ethyl acetate 6.14
    n-propanol 5.12
    acetone 15.49
    n-butanol 3.9
    acetonitrile 4.49
    DMF 34.61
    toluene 1.35
    isobutanol 2.16
    1,4-dioxane 13.39
    methyl acetate 8.45
    THF 118.55
    2-butanone 14.76
    n-pentanol 3.27
    sec-butanol 3.22
    n-hexane 0.11
    ethylene glycol 2.19
    NMP 22.97
    cyclohexane 0.07
    DMSO 115.3
    n-butyl acetate 3.11
    n-octanol 0.99
    chloroform 5.34
    n-propyl acetate 3.9
    acetic acid 17.07
    dichloromethane 3.71
    cyclohexanone 11.89
    propylene glycol 6.29
    isopropyl acetate 3.22
    DMAc 57.9
    2-ethoxyethanol 17.86
    isopentanol 2.29
    n-heptane 0.17
    ethyl formate 7.96
    1,2-dichloroethane 3.27
    n-hexanol 1.97
    2-methoxyethanol 41.49
    isobutyl acetate 1.89
    tetrachloromethane 0.43
    n-pentyl acetate 2.47
    transcutol 35.16
    n-heptanol 1.58
    ethylbenzene 0.51
    MIBK 3.3
    2-propoxyethanol 16.52
    tert-butanol 2.79
    MTBE 1.94
    2-butoxyethanol 8.25
    propionic acid 7.23
    o-xylene 0.6
    formic acid 10.13
    diethyl ether 2.9
    m-xylene 0.64
    p-xylene 0.71
    chlorobenzene 1.64
    dimethyl carbonate 8.15
    n-octane 0.08
    formamide 22.49
    cyclopentanone 40.51
    2-pentanone 8.37
    anisole 3.3
    cyclopentyl methyl ether 7.64
    gamma-butyrolactone 42.28
    1-methoxy-2-propanol 26.74
    pyridine 16.34
    3-pentanone 5.76
    furfural 33.05
    n-dodecane 0.06
    diethylene glycol 12.71
    diisopropyl ether 0.44
    tert-amyl alcohol 2.38
    acetylacetone 13.58
    n-hexadecane 0.07
    acetophenone 4.47
    methyl propionate 9.47
    isopentyl acetate 2.57
    trichloroethylene 9.69
    n-nonanol 1.3
    cyclohexanol 2.16
    benzyl alcohol 4.21
    2-ethylhexanol 1.16
    isooctanol 1.19
    dipropyl ether 3.18
    1,2-dichlorobenzene 1.23
    ethyl lactate 5.93
    propylene carbonate 11.3
    n-methylformamide 19.3
    2-pentanol 1.94
    n-pentane 0.1
    1-propoxy-2-propanol 11.26
    1-methoxy-2-propyl acetate 8.61
    2-(2-methoxypropoxy) propanol 8.68
    mesitylene 0.28
    ε-caprolactone 10.76
    p-cymene 0.44
    epichlorohydrin 42.94
    1,1,1-trichloroethane 1.65
    2-aminoethanol 5.52
    morpholine-4-carbaldehyde 26.63
    sulfolane 49.89
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 12.92
    n-hexyl acetate 2.3
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 12.06
    sec-butyl acetate 2.14
    tert-butyl acetate 3.17
    decalin 0.06
    glycerin 15.3
    diglyme 26.49
    acrylic acid 9.29
    isopropyl myristate 1.19
    n-butyric acid 9.74
    acetyl acetate 4.5
    di(2-ethylhexyl) phthalate 1.59
    ethyl propionate 4.11
    nitromethane 44.46
    1,2-diethoxyethane 7.16
    benzonitrile 2.9
    trioctyl phosphate 1.16
    1-bromopropane 1.56
    gamma-valerolactone 53.47
    n-decanol 0.99
    triethyl phosphate 2.45
    4-methyl-2-pentanol 1.08
    propionitrile 3.78
    vinylene carbonate 10.25
    1,1,2-trichlorotrifluoroethane 33.36
    DMS 3.41
    cumene 0.32
    2-octanol 0.86
    2-hexanone 4.99
    octyl acetate 1.63
    limonene 0.62
    1,2-dimethoxyethane 26.41
    ethyl orthosilicate 2.26
    tributyl phosphate 1.51
    diacetone alcohol 8.3
    N,N-dimethylaniline 2.2
    acrylonitrile 6.96
    aniline 4.61
    1,3-propanediol 9.64
    bromobenzene 1.1
    dibromomethane 2.01
    1,1,2,2-tetrachloroethane 8.82
    2-methyl-cyclohexyl acetate 2.52
    tetrabutyl urea 2.28
    diisobutyl methanol 0.78
    2-phenylethanol 3.18
    styrene 0.72
    dioctyl adipate 2.46
    dimethyl sulfate 15.9
    ethyl butyrate 3.62
    methyl lactate 13.59
    butyl lactate 4.31
    diethyl carbonate 2.57
    propanediol butyl ether 6.19
    triethyl orthoformate 3.91
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 4.58
    morpholine 24.32
    tert-butylamine 0.98
    n-dodecanol 0.73
    dimethoxymethane 32.13
    ethylene carbonate 7.15
    cyrene 11.28
    2-ethoxyethyl acetate 5.91
    2-ethylhexyl acetate 1.76
    1,2,4-trichlorobenzene 2.34
    4-methylpyridine 8.43
    dibutyl ether 1.81
    2,6-dimethyl-4-heptanol 0.78
    DEF 10.18
    dimethyl isosorbide 15.81
    tetrachloroethylene 4.0
    eugenol 5.52
    triacetin 4.95
    span 80 6.05
    1,4-butanediol 3.06
    1,1-dichloroethane 2.19
    2-methyl-1-pentanol 2.09
    methyl formate 18.19
    2-methyl-1-butanol 2.25
    n-decane 0.11
    butyronitrile 3.37
    3,7-dimethyl-1-octanol 1.07
    1-chlorooctane 0.46
    1-chlorotetradecane 0.19
    n-nonane 0.09
    undecane 0.08
    tert-butylcyclohexane 0.06
    cyclooctane 0.04
    cyclopentanol 4.62
    tetrahydropyran 8.36
    tert-amyl methyl ether 1.94
    2,5,8-trioxanonane 16.83
    1-hexene 0.59
    2-isopropoxyethanol 8.41
    2,2,2-trifluoroethanol 6.09
    methyl butyrate 5.92

    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