3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride

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  • Identifiers

    CAS number
    68391-31-1

    Molecular formula
    C19H22ClN5O

    SMILES
    CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)[N+](C)(C)C)C3=CC=CC=C3.[Cl-]

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 40.88%
    Roasted 29.82%
    Floral 27.15%
    Fresh 27.11%
    Citrus 26.83%
    Nutty 24.68%
    Green 24.55%
    Grape 24.51%
    Cooked 22.9%
    Grapefruit 22.85%

     

    Flavor
    Bitter 74.91%
    Cedarleaf 19.38%
    Nitrile 19.09%
    Odorless 19.01%
    Green pepper 18.79%
    Carrot 18.47%
    Roasted peanuts 18.3%
    Bread crust 18.14%
    Taco 18.13%
    Broom 18.13%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    4.3 (weak acid)

    Molecular weight
    371.9 g/mol

    Flash point

    • 32.23 ˚C est.

  • Synonyms

    • Basic Yellow 13
    • 3-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-N,N,N-trimethylanilinium chloride
    • 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo]-n,n,n-trimethylanilinium chloride
    • RefChem:488488
    • Basic yellow 57
    • 68391-31-1
    • trimethyl-[3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]azanium;chloride
    • Basic Yellow 19
    • Benzenaminium, 3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-N,N,N-trimethyl-, chloride
    • Benzenaminium, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethyl-, chloride
    • CI 12719
    • COLIPA C10
    • SCHEMBL1086712
    • SCHEMBL2120385
    • SCHEMBL2120386
    • UNII-4N63359G0X
    • DTXSID50275928
    • NWKBFCIAPOSTKG-UHFFFAOYSA-M
    • EINECS 269-943-5
    • NS00091723
    • 5-Hydroxy-3-methyl-1-phenyl-4-(3'-trimethylammoniophenylazo)pyrazole, chloride
    • 3-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-N,N,- N-trimethylbenzenaminium chloride
    • Benzenaminium, 3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-N,N,- N-trimethyl-, chloride
    • Benzenaminium, 3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N,N,N-trimethyl-, chloride
    • N,N,N-Trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]anilinium chloride
    • 68391-31-1

  • Applications

    3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride (CAS 68391-31-1) is a cationic azo dye used as a colorant in several industrial applications; typical use areas include textile dyeing (notably on acrylic and synthetic fibers), printing inks, coatings and paints for plastics and polymers, and as a color intermediate in pigment and dye production for paper and related substrates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.37
    methanol 25.47
    isopropanol 6.57
    water 0.23
    ethyl acetate 22.45
    n-propanol 10.9
    acetone 50.13
    n-butanol 7.32
    acetonitrile 34.94
    DMF 117.43
    toluene 13.36
    isobutanol 7.59
    1,4-dioxane 26.06
    methyl acetate 39.27
    THF 76.27
    2-butanone 46.92
    n-pentanol 8.61
    sec-butanol 6.04
    n-hexane 0.16
    ethylene glycol 14.28
    NMP 111.11
    cyclohexane 0.26
    DMSO 98.76
    n-butyl acetate 15.54
    n-octanol 3.46
    chloroform 272.06
    n-propyl acetate 18.49
    acetic acid 70.52
    dichloromethane 300.76
    cyclohexanone 60.93
    propylene glycol 15.0
    isopropyl acetate 10.47
    DMAc 156.2
    2-ethoxyethanol 35.03
    isopentanol 7.4
    n-heptane 0.22
    ethyl formate 37.49
    1,2-dichloroethane 107.17
    n-hexanol 7.7
    2-methoxyethanol 63.92
    isobutyl acetate 12.41
    tetrachloromethane 7.52
    n-pentyl acetate 9.87
    transcutol 60.21
    n-heptanol 5.23
    ethylbenzene 5.64
    MIBK 12.66
    2-propoxyethanol 39.97
    tert-butanol 5.98
    MTBE 3.07
    2-butoxyethanol 23.35
    propionic acid 29.08
    o-xylene 6.34
    formic acid 58.22
    diethyl ether 3.76
    m-xylene 6.98
    p-xylene 9.4
    chlorobenzene 39.62
    dimethyl carbonate 32.11
    n-octane 0.14
    formamide 80.86
    cyclopentanone 109.8
    2-pentanone 21.97
    anisole 16.72
    cyclopentyl methyl ether 14.94
    gamma-butyrolactone 148.46
    1-methoxy-2-propanol 37.09
    pyridine 76.69
    3-pentanone 19.0
    furfural 142.42
    n-dodecane 0.18
    diethylene glycol 48.5
    diisopropyl ether 0.96
    tert-amyl alcohol 5.82
    acetylacetone 43.93
    n-hexadecane 0.21
    acetophenone 32.37
    methyl propionate 34.23
    isopentyl acetate 14.85
    trichloroethylene 345.5
    n-nonanol 3.85
    cyclohexanol 8.12
    benzyl alcohol 30.96
    2-ethylhexanol 5.31
    isooctanol 4.66
    dipropyl ether 4.04
    1,2-dichlorobenzene 39.28
    ethyl lactate 23.38
    propylene carbonate 73.73
    n-methylformamide 69.84
    2-pentanol 3.53
    n-pentane 0.13
    1-propoxy-2-propanol 21.46
    1-methoxy-2-propyl acetate 27.6
    2-(2-methoxypropoxy) propanol 25.31
    mesitylene 2.92
    ε-caprolactone 52.03
    p-cymene 4.2
    epichlorohydrin 198.27
    1,1,1-trichloroethane 50.38
    2-aminoethanol 19.02
    morpholine-4-carbaldehyde 95.94
    sulfolane 138.22
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 26.25
    n-hexyl acetate 10.32
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 26.8
    sec-butyl acetate 9.31
    tert-butyl acetate 9.4
    decalin 0.36
    glycerin 33.76
    diglyme 52.84
    acrylic acid 45.35
    isopropyl myristate 4.43
    n-butyric acid 31.25
    acetyl acetate 22.89
    di(2-ethylhexyl) phthalate 11.82
    ethyl propionate 16.05
    nitromethane 152.39
    1,2-diethoxyethane 11.67
    benzonitrile 38.73
    trioctyl phosphate 6.29
    1-bromopropane 17.82
    gamma-valerolactone 132.36
    n-decanol 2.99
    triethyl phosphate 10.22
    4-methyl-2-pentanol 3.02
    propionitrile 22.16
    vinylene carbonate 82.83
    1,1,2-trichlorotrifluoroethane 149.04
    DMS 25.31
    cumene 4.01
    2-octanol 2.46
    2-hexanone 18.43
    octyl acetate 6.64
    limonene 4.34
    1,2-dimethoxyethane 36.54
    ethyl orthosilicate 8.07
    tributyl phosphate 7.89
    diacetone alcohol 24.41
    N,N-dimethylaniline 11.74
    acrylonitrile 48.51
    aniline 24.32
    1,3-propanediol 21.85
    bromobenzene 38.32
    dibromomethane 108.14
    1,1,2,2-tetrachloroethane 178.17
    2-methyl-cyclohexyl acetate 14.81
    tetrabutyl urea 11.92
    diisobutyl methanol 2.67
    2-phenylethanol 25.29
    styrene 7.74
    dioctyl adipate 11.17
    dimethyl sulfate 69.91
    ethyl butyrate 12.9
    methyl lactate 40.72
    butyl lactate 15.42
    diethyl carbonate 12.0
    propanediol butyl ether 16.93
    triethyl orthoformate 9.4
    p-tert-butyltoluene 3.29
    methyl 4-tert-butylbenzoate 22.47
    morpholine 37.84
    tert-butylamine 2.19
    n-dodecanol 2.27
    dimethoxymethane 49.06
    ethylene carbonate 53.12
    cyrene 45.4
    2-ethoxyethyl acetate 21.11
    2-ethylhexyl acetate 11.33
    1,2,4-trichlorobenzene 57.54
    4-methylpyridine 56.57
    dibutyl ether 2.77
    2,6-dimethyl-4-heptanol 2.67
    DEF 32.26
    dimethyl isosorbide 50.04
    tetrachloroethylene 90.06
    eugenol 30.33
    triacetin 24.18
    span 80 17.65
    1,4-butanediol 12.66
    1,1-dichloroethane 66.17
    2-methyl-1-pentanol 8.24
    methyl formate 76.57
    2-methyl-1-butanol 7.05
    n-decane 0.25
    butyronitrile 17.06
    3,7-dimethyl-1-octanol 4.33
    1-chlorooctane 2.03
    1-chlorotetradecane 0.95
    n-nonane 0.19
    undecane 0.21
    tert-butylcyclohexane 0.29
    cyclooctane 0.11
    cyclopentanol 14.78
    tetrahydropyran 14.01
    tert-amyl methyl ether 3.39
    2,5,8-trioxanonane 39.59
    1-hexene 1.36
    2-isopropoxyethanol 21.96
    2,2,2-trifluoroethanol 46.3
    methyl butyrate 24.62

    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