N-Phenyl-p-Phenylenediamine Sulfate

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  • Identifiers

    CAS number
    4698-29-7

    Molecular formula
    C24H26N4O4S

    SMILES
    C1=CC=C(C=C1)NC2=CC=C(C=C2)N.C1=CC=C(C=C1)NC2=CC=C(C=C2)N.OS(=O)(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 58.78%
    Sweet 50.33%
    Animal 41.44%
    Grape 37.75%
    Fruity 36.09%
    Cheesy 29.53%
    Honey 28.79%
    Burnt 26.11%
    Phenolic 24.94%
    Orange 24.68%

     

    Flavor
    Floral 30.61%
    Sweet 24.84%
    Mild 24.58%
    Fruity 24.14%
    Plastic 21.85%
    Penetrating 21.8%
    Animal 21.78%
    Moth ball 21.51%
    Meaty 21.38%
    Naphthelene 21.26%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.79 (weak acid)

    Molecular weight
    466.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    374°C

    Flash point

    • 193.8 ˚C est.

  • Synonyms

    • 4698-29-7
    • N-Phenyl-p-phenylenediamine sulfate
    • p-Aminodiphenylamine sulfate
    • 1,4-Benzenediamine, N1-phenyl-, sulfate (2:1)
    • RODOL GRAY BS
    • COLOREX 4ADS
    • M53XF75F63
    • N-Phenyl-1,4-benzenediamine sulfate
    • 1,4-Benzenediamine, N-phenyl-, sulfate (2:1)
    • DTXSID20884102
    • EINECS 225-173-1
    • Bis(N-phenylbenzene-p-diamine) sulphate
    • N-Phenyl-p-phenylenediamine, hemisulfate
    • BIS(N-PHENYLBENZENE-P-DIAMINE) SULPHATE (CI 76085)
    • RefChem:830974
    • DTXCID001023572
    • N-PHENYL-P-PHENYLENEDIAMINE SULFATE [INCI]
    • Rt base sulfate
    • 4-N-phenylbenzene-1,4-diamine;sulfuric acid
    • bis(N1-phenylbenzene-1,4-diamine); sulfuric acid
    • UNII-M53XF75F63
    • AKOS025310869
    • BS-53425
    • 698R297
    • Q27283500
    • Sulfuric acid--N~1~-phenylbenzene-1,4-diamine (1/2)
    • 4698-29-7

  • Applications

    N-Phenyl-p-Phenylenediamine Sulfate (CAS number: 4698-29-7) is mainly used as an organic dye intermediate and colorant precursor in downstream chemical manufacturing. In cosmetics and personal care, it may be used as a dye intermediate in hair dye formulations after appropriate processing. In industrial manufacturing, it is used to synthesize aromatic dyes and pigments, including azo dye systems. It also finds use in coatings and inks as a colorant/intermediate. In polymers and plastics, it is employed as a dyeing agent or pigment precursor to impart coloration to polymer materials. It is also utilized in research and development as a reactive intermediate for the synthesis of additional dye-related compounds, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 83.78
    methanol 184.74
    isopropanol 32.48
    water 1.18
    ethyl acetate 272.33
    n-propanol 65.68
    acetone 274.63
    n-butanol 47.06
    acetonitrile 229.1
    DMF 428.18
    toluene 12.51
    isobutanol 23.29
    1,4-dioxane 273.3
    methyl acetate 205.83
    THF 455.79
    2-butanone 187.86
    n-pentanol 40.06
    sec-butanol 25.17
    n-hexane 1.03
    ethylene glycol 48.84
    NMP 126.85
    cyclohexane 1.03
    DMSO 618.43
    n-butyl acetate 94.86
    n-octanol 12.7
    chloroform 118.49
    n-propyl acetate 102.19
    acetic acid 215.64
    dichloromethane 51.62
    cyclohexanone 118.19
    propylene glycol 56.58
    isopropyl acetate 93.12
    DMAc 449.27
    2-ethoxyethanol 162.32
    isopentanol 27.91
    n-heptane 2.4
    ethyl formate 163.62
    1,2-dichloroethane 65.55
    n-hexanol 42.4
    2-methoxyethanol 276.71
    isobutyl acetate 49.27
    tetrachloromethane 10.0
    n-pentyl acetate 29.08
    transcutol 344.38
    n-heptanol 20.07
    ethylbenzene 8.0
    MIBK 50.93
    2-propoxyethanol 157.61
    tert-butanol 39.15
    MTBE 48.46
    2-butoxyethanol 66.04
    propionic acid 125.68
    o-xylene 9.0
    formic acid 118.66
    diethyl ether 74.43
    m-xylene 9.0
    p-xylene 10.39
    chlorobenzene 29.87
    dimethyl carbonate 172.22
    n-octane 0.94
    formamide 255.39
    cyclopentanone 302.85
    2-pentanone 130.81
    anisole 65.72
    cyclopentyl methyl ether 68.02
    gamma-butyrolactone 402.66
    1-methoxy-2-propanol 162.48
    pyridine 169.03
    3-pentanone 100.15
    furfural 290.55
    n-dodecane 0.95
    diethylene glycol 149.63
    diisopropyl ether 11.78
    tert-amyl alcohol 27.85
    acetylacetone 249.44
    n-hexadecane 1.03
    acetophenone 60.34
    methyl propionate 214.35
    isopentyl acetate 56.9
    trichloroethylene 173.28
    n-nonanol 14.48
    cyclohexanol 17.15
    benzyl alcohol 43.09
    2-ethylhexanol 23.42
    isooctanol 14.44
    dipropyl ether 61.12
    1,2-dichlorobenzene 31.08
    ethyl lactate 61.47
    propylene carbonate 169.75
    n-methylformamide 308.68
    2-pentanol 19.41
    n-pentane 0.71
    1-propoxy-2-propanol 98.81
    1-methoxy-2-propyl acetate 131.1
    2-(2-methoxypropoxy) propanol 63.29
    mesitylene 5.91
    ε-caprolactone 109.22
    p-cymene 9.52
    epichlorohydrin 281.58
    1,1,1-trichloroethane 48.89
    2-aminoethanol 77.82
    morpholine-4-carbaldehyde 223.77
    sulfolane 284.18
    2,2,4-trimethylpentane 1.07
    2-methyltetrahydrofuran 103.09
    n-hexyl acetate 33.85
    isooctane 0.79
    2-(2-butoxyethoxy)ethanol 96.68
    sec-butyl acetate 49.48
    tert-butyl acetate 70.57
    decalin 1.36
    glycerin 118.3
    diglyme 226.23
    acrylic acid 132.62
    isopropyl myristate 15.95
    n-butyric acid 173.81
    acetyl acetate 165.22
    di(2-ethylhexyl) phthalate 20.06
    ethyl propionate 106.89
    nitromethane 784.18
    1,2-diethoxyethane 108.35
    benzonitrile 53.43
    trioctyl phosphate 13.0
    1-bromopropane 15.5
    gamma-valerolactone 359.24
    n-decanol 11.51
    triethyl phosphate 33.61
    4-methyl-2-pentanol 14.41
    propionitrile 127.16
    vinylene carbonate 153.13
    1,1,2-trichlorotrifluoroethane 237.17
    DMS 55.6
    cumene 7.04
    2-octanol 9.07
    2-hexanone 80.38
    octyl acetate 22.0
    limonene 12.23
    1,2-dimethoxyethane 306.71
    ethyl orthosilicate 32.61
    tributyl phosphate 18.11
    diacetone alcohol 80.37
    N,N-dimethylaniline 33.57
    acrylonitrile 200.66
    aniline 44.24
    1,3-propanediol 96.49
    bromobenzene 21.05
    dibromomethane 24.19
    1,1,2,2-tetrachloroethane 148.77
    2-methyl-cyclohexyl acetate 37.22
    tetrabutyl urea 23.44
    diisobutyl methanol 14.71
    2-phenylethanol 42.05
    styrene 13.13
    dioctyl adipate 28.12
    dimethyl sulfate 182.75
    ethyl butyrate 84.15
    methyl lactate 114.45
    butyl lactate 33.71
    diethyl carbonate 60.07
    propanediol butyl ether 45.92
    triethyl orthoformate 60.07
    p-tert-butyltoluene 9.94
    methyl 4-tert-butylbenzoate 44.5
    morpholine 246.28
    tert-butylamine 17.7
    n-dodecanol 9.27
    dimethoxymethane 335.2
    ethylene carbonate 131.61
    cyrene 58.95
    2-ethoxyethyl acetate 61.7
    2-ethylhexyl acetate 42.16
    1,2,4-trichlorobenzene 38.51
    4-methylpyridine 82.95
    dibutyl ether 26.37
    2,6-dimethyl-4-heptanol 14.71
    DEF 157.19
    dimethyl isosorbide 112.67
    tetrachloroethylene 83.45
    eugenol 48.42
    triacetin 53.31
    span 80 45.65
    1,4-butanediol 37.38
    1,1-dichloroethane 40.67
    2-methyl-1-pentanol 26.67
    methyl formate 236.87
    2-methyl-1-butanol 24.27
    n-decane 1.46
    butyronitrile 79.74
    3,7-dimethyl-1-octanol 14.44
    1-chlorooctane 7.11
    1-chlorotetradecane 3.65
    n-nonane 1.15
    undecane 1.13
    tert-butylcyclohexane 1.65
    cyclooctane 0.54
    cyclopentanol 30.67
    tetrahydropyran 107.27
    tert-amyl methyl ether 34.88
    2,5,8-trioxanonane 145.01
    1-hexene 7.02
    2-isopropoxyethanol 80.48
    2,2,2-trifluoroethanol 76.77
    methyl butyrate 132.74

    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