P-Phenylenediamine

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  • Identifiers

    CAS number
    106-50-3

    Molecular formula
    C6H8N2

    SMILES
    C1=CC(=CC=C1N)N

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 39.89%
    Sweet 39.74%
    Fishy 36.58%
    Meaty 34.23%
    Cheesy 33.42%
    Burnt 32.3%
    Phenolic 31.93%
    Floral 29.88%
    Ripe 28.45%
    Musty 27.21%

     

    Flavor
    Sulfurous 34.88%
    Meaty 30.86%
    Garlic 30.07%
    Fishy 28.37%
    Egg 27.38%
    Phenolic 26.94%
    Onion 25.98%
    Penetrating 23.67%
    Mild 22.67%
    Medicinal 21.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    4.3 (weak acid)

    Molecular weight
    108.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 284 °F (NTP, 1992)
    • 145-147 °C
    • 139-147 °C
    • 295 °F

    Boiling point

    • 513 °F at 760 mmHg (NTP, 1992)
    • 267 °C
    • 513 °F

    Flash point

    • 144.6 ˚C est.
    • 311 °F (NTP, 1992)
    • 311 °F
    • 156 °C c.c.
    • 312 °F

    Solubility expt.

    • 4 % at 75 °F (NIOSH, 2024)
    • SOL IN 100 PARTS COLD WATER; SOL IN ALCOHOL, CHLOROFORM, ETHER
    • SOL IN HOT BENZENE
    • Water solubility= 38,000 ppm
    • Solubility in water, g/100ml at 25 °C: 4
    • (75 °F): 4%

  • Synonyms

    • p-Phenylenediamine
    • 106-50-3
    • 1,4-BENZENEDIAMINE
    • 1,4-Phenylenediamine
    • 1,4-Diaminobenzene
    • 4-Aminoaniline
    • para-phenylenediamine
    • p-Diaminobenzene
    • p-Aminoaniline
    • Orsin
    • 4-Phenylenediamine
    • Paraphenylenediamine
    • Ursol D
    • p-Benzenediamine
    • Fouramine D
    • Futramine D
    • Benzofur D
    • Developer PF
    • Fourrine D
    • Fur Yellow
    • Santoflex IC
    • Santoflex LC
    • Durafur Black R
    • Pelagol D
    • Tertral D
    • Pelagol DR
    • Pelagol Grey D
    • Peltol D
    • Fourrine 1
    • Furro D
    • Renal PF
    • Zoba Black D
    • Developer 13
    • Nako H
    • BASF ursol D
    • Fenylenodwuamina
    • Oxidation base 10
    • Rodol D
    • Usaf ek-394
    • C.I. Developer 13
    • Fur Black 41867
    • Paraphenylen-diamine
    • paraphenylene-diamine
    • p-Fenylendiamin
    • FUR Brown 41866
    • P-PHENYLENE DIAMINE
    • C.I. Oxidation Base 10
    • CI Developer 13
    • CI Oxidation Base 10
    • Fur Black 41866
    • CI 76060
    • C.I. 76060
    • DTXSID9021138
    • U770QIT64J
    • CHEBI:51403
    • NSC-4777
    • DTXCID401138
    • 1,4-phenyldiamine
    • black henna
    • 1,4-phenylene diamine
    • ELF Color
    • RefChem:6094
    • Obeo The Mee Plus Hair Color Cream Dark Brown
    • Obeo The Mee Plus Hair Color Cream Natural Brown
    • TMCA HAIR COLOR Number Six (Natural dark brown)
    • BEAUTIFUL WOMANS HAIR LOVES COLORFUL BUBBLES HAIR DYE 3N DARK BROWN
    • 203-404-7
    • para
    • benzene-1,4-diamine
    • p-Phenyldiamine
    • p-phenylenediamine base
    • NSC 4777
    • MFCD00007901
    • p-PhenylenediaMine(p-PDA)
    • NCGC00159375-02
    • NCGC00159375-04
    • p-Fenylendiamin [Czech]
    • Fenylenodwuamina [Polish]
    • CAS-106-50-3
    • CCRIS 509
    • 4-phenylene diamine
    • (4-Aminophenyl)amine
    • HSDB 2518
    • Phenylenediamine, para-
    • EINECS 203-404-7
    • UNII-U770QIT64J
    • AI3-00710
    • p-phenylendiamine
    • 4-amino-aniline
    • Aminogen II
    • para-diaminobenzene
    • p-phenylene-diamine
    • paraphenylene diamine
    • aniline, 4-amino-
    • 1,4-diamino benzene
    • para-phenylene diamine
    • Phenylenediamine, para
    • WLN: ZR DZ
    • Epitope ID:114080
    • EC 203-404-7
    • SCHEMBL27981
    • 1,4-DIAMINO-BENZENE
    • SCHEMBL645101
    • HSDB 6256 (Salt/Mix)
    • CHEMBL403741
    • SCHEMBL1204109
    • SCHEMBL1963092
    • SCHEMBL4000780
    • SCHEMBL6282891
    • SCHEMBL9443945
    • P-PHENYLENEDIAMINE [MI]
    • NSC4777
    • C.I. 76076 (Salt/Mix)
    • 1,4-BENZENEDIAMINE [HSDB]
    • BB_SC-07053
    • P-PHENYLENEDIAMINE [WHO-DD]
    • PARAPHENYLENEDIAMINE [VANDF]
    • STR01091
    • PARAPHENYLENEDIAMINE [MART.]
    • Tox21_111615
    • Tox21_201993
    • Tox21_302943
    • BBL011602
    • EBC-26044
    • MSK1226-100A
    • STL163334
    • AKOS005716327
    • 106-50-3

  • Applications

    P-Phenylenediamine (CAS 106-50-3) is widely used as a chemical intermediate for the production of colorants and pigments, particularly as an oxidative-dye component for hair cosmetics; it also serves as a key precursor in the synthesis of azo dyes and pigments used in textiles and in printing and coating applications; in addition, it is employed as a colorant intermediate in polymer and plastic formulations to impart color; in industrial manufacturing it is used for specialty colorants in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.96
    methanol 61.84
    isopropanol 11.72
    water 7.17
    ethyl acetate 29.19
    n-propanol 15.43
    acetone 58.03
    n-butanol 13.15
    acetonitrile 33.57
    DMF 179.37
    toluene 1.68
    isobutanol 7.38
    1,4-dioxane 25.8
    methyl acetate 39.98
    THF 112.06
    2-butanone 33.43
    n-pentanol 8.91
    sec-butanol 7.13
    n-hexane 0.42
    ethylene glycol 16.8
    NMP 76.33
    cyclohexane 0.29
    DMSO 140.78
    n-butyl acetate 19.96
    n-octanol 6.72
    chloroform 27.26
    n-propyl acetate 15.49
    acetic acid 43.44
    dichloromethane 14.24
    cyclohexanone 22.94
    propylene glycol 14.29
    isopropyl acetate 12.65
    DMAc 144.1
    2-ethoxyethanol 34.82
    isopentanol 8.75
    n-heptane 1.25
    ethyl formate 43.64
    1,2-dichloroethane 10.55
    n-hexanol 17.29
    2-methoxyethanol 72.59
    isobutyl acetate 7.95
    tetrachloromethane 9.61
    n-pentyl acetate 11.05
    transcutol 23.66
    n-heptanol 12.44
    ethylbenzene 1.52
    MIBK 10.57
    2-propoxyethanol 53.24
    tert-butanol 14.2
    MTBE 9.23
    2-butoxyethanol 33.7
    propionic acid 27.8
    o-xylene 2.01
    formic acid 58.46
    diethyl ether 7.99
    m-xylene 2.04
    p-xylene 2.54
    chlorobenzene 6.24
    dimethyl carbonate 36.95
    n-octane 0.53
    formamide 74.89
    cyclopentanone 81.73
    2-pentanone 21.17
    anisole 11.44
    cyclopentyl methyl ether 15.74
    gamma-butyrolactone 109.65
    1-methoxy-2-propanol 44.21
    pyridine 22.44
    3-pentanone 15.05
    furfural 91.39
    n-dodecane 0.44
    diethylene glycol 45.16
    diisopropyl ether 2.05
    tert-amyl alcohol 9.55
    acetylacetone 35.1
    n-hexadecane 0.46
    acetophenone 13.63
    methyl propionate 32.84
    isopentyl acetate 13.65
    trichloroethylene 30.77
    n-nonanol 6.6
    cyclohexanol 4.14
    benzyl alcohol 9.59
    2-ethylhexanol 8.97
    isooctanol 7.83
    dipropyl ether 11.09
    1,2-dichlorobenzene 8.42
    ethyl lactate 16.28
    propylene carbonate 46.86
    n-methylformamide 103.39
    2-pentanol 5.15
    n-pentane 0.32
    1-propoxy-2-propanol 29.71
    1-methoxy-2-propyl acetate 25.79
    2-(2-methoxypropoxy) propanol 16.61
    mesitylene 1.58
    ε-caprolactone 23.59
    p-cymene 3.69
    epichlorohydrin 60.67
    1,1,1-trichloroethane 17.04
    2-aminoethanol 23.73
    morpholine-4-carbaldehyde 65.33
    sulfolane 89.61
    2,2,4-trimethylpentane 0.4
    2-methyltetrahydrofuran 25.58
    n-hexyl acetate 10.54
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 21.79
    sec-butyl acetate 7.05
    tert-butyl acetate 13.94
    decalin 0.37
    glycerin 37.64
    diglyme 48.05
    acrylic acid 31.82
    isopropyl myristate 4.61
    n-butyric acid 34.85
    acetyl acetate 23.22
    di(2-ethylhexyl) phthalate 7.09
    ethyl propionate 15.8
    nitromethane 154.87
    1,2-diethoxyethane 10.73
    benzonitrile 12.8
    trioctyl phosphate 6.3
    1-bromopropane 3.93
    gamma-valerolactone 84.08
    n-decanol 4.98
    triethyl phosphate 10.3
    4-methyl-2-pentanol 4.14
    propionitrile 21.32
    vinylene carbonate 43.76
    1,1,2-trichlorotrifluoroethane 64.07
    DMS 12.17
    cumene 1.81
    2-octanol 5.28
    2-hexanone 14.6
    octyl acetate 7.68
    limonene 4.22
    1,2-dimethoxyethane 59.71
    ethyl orthosilicate 9.33
    tributyl phosphate 6.44
    diacetone alcohol 21.9
    N,N-dimethylaniline 8.84
    acrylonitrile 38.86
    aniline 6.9
    1,3-propanediol 30.46
    bromobenzene 4.57
    dibromomethane 7.57
    1,1,2,2-tetrachloroethane 25.94
    2-methyl-cyclohexyl acetate 10.63
    tetrabutyl urea 10.0
    diisobutyl methanol 4.74
    2-phenylethanol 14.58
    styrene 1.85
    dioctyl adipate 6.59
    dimethyl sulfate 64.68
    ethyl butyrate 16.38
    methyl lactate 34.08
    butyl lactate 12.08
    diethyl carbonate 12.28
    propanediol butyl ether 14.84
    triethyl orthoformate 12.94
    p-tert-butyltoluene 3.86
    methyl 4-tert-butylbenzoate 18.05
    morpholine 30.48
    tert-butylamine 5.96
    n-dodecanol 3.71
    dimethoxymethane 68.53
    ethylene carbonate 31.89
    cyrene 20.76
    2-ethoxyethyl acetate 15.49
    2-ethylhexyl acetate 10.41
    1,2,4-trichlorobenzene 10.24
    4-methylpyridine 16.96
    dibutyl ether 4.68
    2,6-dimethyl-4-heptanol 4.74
    DEF 30.18
    dimethyl isosorbide 34.55
    tetrachloroethylene 20.93
    eugenol 19.83
    triacetin 12.41
    span 80 13.71
    1,4-butanediol 10.97
    1,1-dichloroethane 10.78
    2-methyl-1-pentanol 6.28
    methyl formate 94.18
    2-methyl-1-butanol 6.95
    n-decane 0.64
    butyronitrile 17.93
    3,7-dimethyl-1-octanol 5.15
    1-chlorooctane 3.03
    1-chlorotetradecane 1.34
    n-nonane 0.54
    undecane 0.5
    tert-butylcyclohexane 0.54
    cyclooctane 0.21
    cyclopentanol 10.41
    tetrahydropyran 12.98
    tert-amyl methyl ether 7.04
    2,5,8-trioxanonane 32.53
    1-hexene 1.59
    2-isopropoxyethanol 15.95
    2,2,2-trifluoroethanol 37.46
    methyl butyrate 23.76

    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