2,4-Diaminophenol

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  • Identifiers

    CAS number
    95-86-3

    Molecular formula
    C6H8N2O

    SMILES
    C1=CC(=C(C=C1N)N)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.51%
    Phenolic 38.85%
    Burnt 35.52%
    Meaty 33.49%
    Smoky 29.92%
    Savory 24.5%
    Animal 24.22%
    Roasted 22.36%
    Fishy 21.32%
    Bitter 21.05%

     

    Flavor
    Mild 39.73%
    Phenolic 39.27%
    Bitter 36.67%
    Meaty 33.63%
    Fruity 26.89%
    Sulfurous 26.18%
    Coffee 23.09%
    Odorless 23.04%
    Medicinal 22.94%
    Sweet 22.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    5.96 (weak acid)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 168.66 ˚C est.

  • Synonyms

    • 2,4-DIAMINOPHENOL
    • 95-86-3
    • Phenol, 2,4-diamino-
    • H691WBT7OS
    • DTXSID7043748
    • NSC-5727
    • RefChem:82279
    • DTXCID5023748
    • 202-459-4
    • MFCD00025290
    • NSC5727
    • NSC 5727
    • EINECS 202-459-4
    • UNII-H691WBT7OS
    • BRN 0508475
    • 3-amino-4-hydroxyaniline
    • 2 pound not4-Diaminophenol
    • SCHEMBL27284
    • aniline, 3-amino-4-hydroxy-
    • SCHEMBL1864811
    • CHEMBL2924225
    • SCHEMBL11231158
    • SCHEMBL11497509
    • XIWMTQIUUWJNRP-UHFFFAOYSA-
    • 2,4-DIAMINOPHENOL [MI]
    • STL264251
    • 4-HYDROXY-1,3-BENZENEDIAMINE
    • AKOS015891107
    • DS-2112
    • SB75530
    • NCGC00249006-01
    • PD118977
    • DB-226824
    • NS00009579
    • EN300-35023
    • Q3297000
    • InChI=1/C6H8N2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,7-8H2
    • 95-86-3

  • Applications

    Primarily used as an intermediate in the synthesis of dye and pigment systems, 2,4-Diaminophenol (CAS 95-86-3) serves as a building block for cosmetic hair-dye colorants and related colorants used in coatings and inks; it is also a versatile precursor in organic synthesis for dye- and pigment-related products employed in polymers and specialty plastics; in industrial manufacturing it functions as a dye-intermediate and starting material for the synthesis of heterocyclic compounds and other specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.23
    methanol 9.56
    isopropanol 2.04
    water 10.86
    ethyl acetate 3.84
    n-propanol 1.72
    acetone 7.32
    n-butanol 1.73
    acetonitrile 3.06
    DMF 13.56
    toluene 0.26
    isobutanol 1.29
    1,4-dioxane 7.42
    methyl acetate 4.7
    THF 51.22
    2-butanone 4.3
    n-pentanol 1.62
    sec-butanol 1.37
    n-hexane 0.09
    ethylene glycol 6.11
    NMP 27.27
    cyclohexane 0.04
    DMSO 43.22
    n-butyl acetate 3.91
    n-octanol 2.16
    chloroform 0.69
    n-propyl acetate 2.37
    acetic acid 25.83
    dichloromethane 0.37
    cyclohexanone 5.69
    propylene glycol 3.51
    isopropyl acetate 2.73
    DMAc 34.07
    2-ethoxyethanol 12.17
    isopentanol 2.46
    n-heptane 0.39
    ethyl formate 5.6
    1,2-dichloroethane 0.4
    n-hexanol 5.26
    2-methoxyethanol 20.7
    isobutyl acetate 1.38
    tetrachloromethane 1.21
    n-pentyl acetate 2.94
    transcutol 10.96
    n-heptanol 5.18
    ethylbenzene 0.28
    MIBK 3.71
    2-propoxyethanol 20.89
    tert-butanol 5.76
    MTBE 2.36
    2-butoxyethanol 14.02
    propionic acid 6.59
    o-xylene 0.55
    formic acid 55.67
    diethyl ether 1.04
    m-xylene 0.62
    p-xylene 0.43
    chlorobenzene 0.47
    dimethyl carbonate 4.81
    n-octane 0.17
    formamide 42.05
    cyclopentanone 21.52
    2-pentanone 3.96
    anisole 1.83
    cyclopentyl methyl ether 5.35
    gamma-butyrolactone 33.45
    1-methoxy-2-propanol 12.03
    pyridine 2.11
    3-pentanone 2.07
    furfural 25.74
    n-dodecane 0.11
    diethylene glycol 25.41
    diisopropyl ether 0.74
    tert-amyl alcohol 4.25
    acetylacetone 10.06
    n-hexadecane 0.12
    acetophenone 2.99
    methyl propionate 4.2
    isopentyl acetate 3.79
    trichloroethylene 1.33
    n-nonanol 2.23
    cyclohexanol 1.32
    benzyl alcohol 1.99
    2-ethylhexanol 3.51
    isooctanol 4.11
    dipropyl ether 2.81
    1,2-dichlorobenzene 0.85
    ethyl lactate 4.41
    propylene carbonate 11.83
    n-methylformamide 12.72
    2-pentanol 1.27
    n-pentane 0.06
    1-propoxy-2-propanol 11.26
    1-methoxy-2-propyl acetate 7.34
    2-(2-methoxypropoxy) propanol 9.06
    mesitylene 0.63
    ε-caprolactone 6.87
    p-cymene 1.17
    epichlorohydrin 11.75
    1,1,1-trichloroethane 1.34
    2-aminoethanol 7.18
    morpholine-4-carbaldehyde 21.49
    sulfolane 39.36
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 9.31
    n-hexyl acetate 3.14
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 11.13
    sec-butyl acetate 1.49
    tert-butyl acetate 5.44
    decalin 0.1
    glycerin 16.43
    diglyme 21.72
    acrylic acid 7.92
    isopropyl myristate 1.47
    n-butyric acid 8.28
    acetyl acetate 3.98
    di(2-ethylhexyl) phthalate 3.05
    ethyl propionate 2.31
    nitromethane 46.05
    1,2-diethoxyethane 2.86
    benzonitrile 1.73
    trioctyl phosphate 2.73
    1-bromopropane 0.18
    gamma-valerolactone 29.26
    n-decanol 1.65
    triethyl phosphate 3.34
    4-methyl-2-pentanol 1.82
    propionitrile 1.32
    vinylene carbonate 7.62
    1,1,2-trichlorotrifluoroethane 19.91
    DMS 2.41
    cumene 0.48
    2-octanol 2.26
    2-hexanone 2.8
    octyl acetate 2.39
    limonene 1.41
    1,2-dimethoxyethane 16.07
    ethyl orthosilicate 3.19
    tributyl phosphate 2.32
    diacetone alcohol 13.11
    N,N-dimethylaniline 2.12
    acrylonitrile 2.48
    aniline 1.09
    1,3-propanediol 10.14
    bromobenzene 0.3
    dibromomethane 0.24
    1,1,2,2-tetrachloroethane 1.53
    2-methyl-cyclohexyl acetate 3.8
    tetrabutyl urea 3.68
    diisobutyl methanol 2.54
    2-phenylethanol 4.88
    styrene 0.22
    dioctyl adipate 2.24
    dimethyl sulfate 13.23
    ethyl butyrate 3.6
    methyl lactate 7.81
    butyl lactate 4.09
    diethyl carbonate 2.33
    propanediol butyl ether 6.3
    triethyl orthoformate 3.29
    p-tert-butyltoluene 1.27
    methyl 4-tert-butylbenzoate 8.74
    morpholine 6.62
    tert-butylamine 1.66
    n-dodecanol 1.21
    dimethoxymethane 10.59
    ethylene carbonate 5.72
    cyrene 14.41
    2-ethoxyethyl acetate 4.6
    2-ethylhexyl acetate 2.63
    1,2,4-trichlorobenzene 1.19
    4-methylpyridine 2.07
    dibutyl ether 1.07
    2,6-dimethyl-4-heptanol 2.54
    DEF 5.11
    dimethyl isosorbide 18.84
    tetrachloroethylene 2.12
    eugenol 9.19
    triacetin 4.18
    span 80 7.05
    1,4-butanediol 3.76
    1,1-dichloroethane 0.41
    2-methyl-1-pentanol 2.11
    methyl formate 12.83
    2-methyl-1-butanol 1.83
    n-decane 0.18
    butyronitrile 1.46
    3,7-dimethyl-1-octanol 2.12
    1-chlorooctane 0.63
    1-chlorotetradecane 0.28
    n-nonane 0.16
    undecane 0.14
    tert-butylcyclohexane 0.17
    cyclooctane 0.06
    cyclopentanol 3.42
    tetrahydropyran 1.93
    tert-amyl methyl ether 2.32
    2,5,8-trioxanonane 18.14
    1-hexene 0.2
    2-isopropoxyethanol 7.02
    2,2,2-trifluoroethanol 21.03
    methyl butyrate 3.41

    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