1,4-Benzenediamine, 2-methoxy-, sulfate

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  • Identifiers

    CAS number
    42909-29-5

    Molecular formula
    C7H12N2O5S

    SMILES
    COC1=C(C=CC(=C1)N)N.OS(=O)(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Sweet 40.35%
    Phenolic 39.45%
    Burnt 35.09%
    Meaty 33.94%
    Smoky 32.39%
    Animal 28.73%
    Roasted 28.07%
    Fruity 26.19%
    Vanilla 25.99%
    Musty 24.58%

     

    Flavor
    Sweet 48.04%
    Phenolic 42.77%
    Meaty 38.67%
    Fruity 37.52%
    Mild 34.92%
    Bitter 34.04%
    Floral 30.14%
    Powdery 29.79%
    Medicinal 28.89%
    Roasted 27.91%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.98 (weak acid)

    Molecular weight
    236.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point

    • 146.48 ˚C est.

  • Synonyms

    • 2-Methoxybenzene-1,4-diammonium sulphate
    • 1,4-Benzenediamine, 2-methoxy-, sulfate (1:1)
    • 2-Methoxy-p-phenylenediamine sulfate
    • 1,4-Benzenediamine, 2-methoxy-, sulfate
    • EINECS 255-999-8
    • EINECS 266-443-9
    • J67P1A29GN
    • 42909-29-5
    • p-Phenylenediamine, 2-methoxy-, sulfate
    • METHOXY-P-PHENYLENEDIAMINE SULFATE
    • RefChem:415881
    • DTXSID601015775
    • 2-METHOXY-P-PHENYLENEDIAMINE SULFATE [INCI]
    • 255-999-8
    • 2,5-Diaminoanisole sulfate
    • 66671-82-7
    • 2-Methoxybenzene-1,4-diamine sulfate
    • MFCD00013114
    • 2-methoxybenzene-1,4-diamine;sulfuric acid
    • 2-Methoxy-1,4-benzenediamine sulfate
    • UNII-J67P1A29GN
    • 2-methoxybenzene-1,4-diamine; sulfuric acid
    • SCHEMBL3340873
    • DTXSID3070468
    • SCHEMBL29558859
    • 2-Methoxy-p-phenylenediamine H2SO4
    • 2-Methoxybenzene-1,4-diaminesulfate
    • AKOS015897350
    • FM30843
    • AS-14893
    • SY112860
    • DB-054950
    • CS-0197362
    • EN300-1695644
    • 98% (HPLC)(contains <10%Ammonium sulfate salt)
    • Q27281255
    • Sulfuric acid--2-methoxybenzene-1,4-diamine (1/1)
    • 2-Methoxy-1,4-benzenediamine Sulfate; 2-Methoxy-p-phenylenediamine Sulfate; Methoxy-p-phenylenediamine Sulfate;
    • 66671-82-7

  • Applications

    1,4-Benzenediamine, 2-methoxy-, sulfate (CAS 42909-29-5) is primarily used as a chemical intermediate in dye chemistry and cosmetics. In cosmetics and personal care, it functions as an oxidative hair dye precursor that forms color compounds with oxidants in hair coloring formulations. In the textile and dyes sector, it serves as an intermediate in the synthesis of azo dyes and pigments for fabrics and printing applications. In coatings and inks, it is used as a dye precursor or coupling component to develop colorants for coatings and printing inks. In polymers and plastics manufacturing, it may be used as an intermediate for specialty polymers and resin formulations. In industrial manufacturing, it can be evaluated for roles as a chemical intermediate in the synthesis of various functional materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.26
    methanol 78.13
    isopropanol 23.7
    water 12.21
    ethyl acetate 37.25
    n-propanol 28.94
    acetone 93.66
    n-butanol 22.73
    acetonitrile 69.38
    DMF 132.23
    toluene 4.33
    isobutanol 16.89
    1,4-dioxane 116.37
    methyl acetate 52.56
    THF 222.4
    2-butanone 53.41
    n-pentanol 16.97
    sec-butanol 16.14
    n-hexane 0.46
    ethylene glycol 40.94
    NMP 87.32
    cyclohexane 0.52
    DMSO 396.67
    n-butyl acetate 14.88
    n-octanol 12.85
    chloroform 33.25
    n-propyl acetate 13.55
    acetic acid 114.63
    dichloromethane 29.32
    cyclohexanone 51.2
    propylene glycol 26.25
    isopropyl acetate 13.74
    DMAc 109.93
    2-ethoxyethanol 68.38
    isopentanol 18.09
    n-heptane 1.39
    ethyl formate 48.25
    1,2-dichloroethane 21.64
    n-hexanol 23.73
    2-methoxyethanol 135.44
    isobutyl acetate 8.2
    tetrachloromethane 9.38
    n-pentyl acetate 11.79
    transcutol 54.63
    n-heptanol 15.7
    ethylbenzene 2.79
    MIBK 16.74
    2-propoxyethanol 66.29
    tert-butanol 37.38
    MTBE 18.77
    2-butoxyethanol 36.59
    propionic acid 44.76
    o-xylene 5.2
    formic acid 124.62
    diethyl ether 16.27
    m-xylene 5.2
    p-xylene 3.86
    chlorobenzene 11.43
    dimethyl carbonate 26.55
    n-octane 0.75
    formamide 129.95
    cyclopentanone 123.7
    2-pentanone 31.76
    anisole 16.49
    cyclopentyl methyl ether 34.98
    gamma-butyrolactone 154.35
    1-methoxy-2-propanol 61.73
    pyridine 37.11
    3-pentanone 21.74
    furfural 115.0
    n-dodecane 0.7
    diethylene glycol 88.63
    diisopropyl ether 3.62
    tert-amyl alcohol 23.89
    acetylacetone 49.46
    n-hexadecane 0.79
    acetophenone 18.56
    methyl propionate 35.62
    isopentyl acetate 13.34
    trichloroethylene 49.68
    n-nonanol 11.71
    cyclohexanol 14.76
    benzyl alcohol 18.44
    2-ethylhexanol 12.34
    isooctanol 11.94
    dipropyl ether 10.92
    1,2-dichlorobenzene 12.67
    ethyl lactate 17.74
    propylene carbonate 49.81
    n-methylformamide 100.58
    2-pentanol 10.75
    n-pentane 0.51
    1-propoxy-2-propanol 34.96
    1-methoxy-2-propyl acetate 26.08
    2-(2-methoxypropoxy) propanol 25.55
    mesitylene 3.75
    ε-caprolactone 41.0
    p-cymene 4.94
    epichlorohydrin 120.56
    1,1,1-trichloroethane 23.78
    2-aminoethanol 47.03
    morpholine-4-carbaldehyde 97.15
    sulfolane 172.64
    2,2,4-trimethylpentane 0.76
    2-methyltetrahydrofuran 70.24
    n-hexyl acetate 15.59
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 35.16
    sec-butyl acetate 7.58
    tert-butyl acetate 18.05
    decalin 0.75
    glycerin 74.46
    diglyme 68.03
    acrylic acid 49.2
    isopropyl myristate 6.2
    n-butyric acid 49.68
    acetyl acetate 25.83
    di(2-ethylhexyl) phthalate 10.83
    ethyl propionate 13.28
    nitromethane 260.86
    1,2-diethoxyethane 15.28
    benzonitrile 18.9
    trioctyl phosphate 9.07
    1-bromopropane 7.01
    gamma-valerolactone 134.53
    n-decanol 8.65
    triethyl phosphate 12.18
    4-methyl-2-pentanol 8.29
    propionitrile 28.04
    vinylene carbonate 45.77
    1,1,2-trichlorotrifluoroethane 99.35
    DMS 15.51
    cumene 3.14
    2-octanol 8.84
    2-hexanone 17.0
    octyl acetate 10.04
    limonene 7.06
    1,2-dimethoxyethane 87.66
    ethyl orthosilicate 10.63
    tributyl phosphate 8.83
    diacetone alcohol 36.08
    N,N-dimethylaniline 12.06
    acrylonitrile 43.75
    aniline 16.27
    1,3-propanediol 63.43
    bromobenzene 8.46
    dibromomethane 15.06
    1,1,2,2-tetrachloroethane 37.6
    2-methyl-cyclohexyl acetate 13.86
    tetrabutyl urea 11.65
    diisobutyl methanol 7.29
    2-phenylethanol 21.95
    styrene 3.2
    dioctyl adipate 10.94
    dimethyl sulfate 61.04
    ethyl butyrate 13.28
    methyl lactate 32.64
    butyl lactate 14.31
    diethyl carbonate 10.86
    propanediol butyl ether 24.93
    triethyl orthoformate 11.6
    p-tert-butyltoluene 5.35
    methyl 4-tert-butylbenzoate 23.54
    morpholine 91.26
    tert-butylamine 13.47
    n-dodecanol 6.42
    dimethoxymethane 75.06
    ethylene carbonate 34.87
    cyrene 35.64
    2-ethoxyethyl acetate 19.89
    2-ethylhexyl acetate 10.08
    1,2,4-trichlorobenzene 17.32
    4-methylpyridine 26.37
    dibutyl ether 7.09
    2,6-dimethyl-4-heptanol 7.29
    DEF 36.24
    dimethyl isosorbide 44.0
    tetrachloroethylene 28.41
    eugenol 24.11
    triacetin 19.31
    span 80 21.98
    1,4-butanediol 26.74
    1,1-dichloroethane 17.96
    2-methyl-1-pentanol 13.5
    methyl formate 97.77
    2-methyl-1-butanol 15.62
    n-decane 1.17
    butyronitrile 23.77
    3,7-dimethyl-1-octanol 9.74
    1-chlorooctane 5.39
    1-chlorotetradecane 2.24
    n-nonane 1.02
    undecane 0.88
    tert-butylcyclohexane 0.95
    cyclooctane 0.41
    cyclopentanol 28.89
    tetrahydropyran 39.52
    tert-amyl methyl ether 14.17
    2,5,8-trioxanonane 49.11
    1-hexene 1.99
    2-isopropoxyethanol 35.53
    2,2,2-trifluoroethanol 62.48
    methyl butyrate 19.56

    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