3,4-Diaminobenzoic acid

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  • Identifiers

    CAS number
    619-05-6

    Molecular formula
    C7H8N2O2

    SMILES
    C1=CC(=C(C=C1C(=O)O)N)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.56%
    Grape 25.02%
    Bitter 23.96%
    Meaty 23.57%
    Burnt 22.55%
    Savory 21.57%
    Cooked 20.7%
    Phenolic 20.16%
    Animal 20.12%
    Roasted 17.92%

     

    Flavor
    Odorless 52.08%
    Mild 48.15%
    Phenolic 36.1%
    Bitter 32.44%
    Nutty 29.9%
    Faint 28.19%
    Sour 27.31%
    Urine 23.06%
    Yeast 22.38%
    Orange flower 22.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    4.13 (weak acid)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    416°C

    Flash point

    • 204.19 ˚C est.

  • Synonyms

    • 3,4-Diaminobenzoic acid
    • 619-05-6
    • Benzoic acid, 3,4-diamino-
    • 2H2G880K12
    • DTXSID00210920
    • RefChem:485830
    • DTXCID30133411
    • 210-577-2
    • MFCD00007726
    • 4-Carboxy-o-phenylenediamine
    • 4-Carboxyphenyldiamine
    • 4-carboxy-1,2-diaminobenzene
    • 3,4-diaminobenzoicacid
    • EINECS 210-577-2
    • UNII-2H2G880K12
    • 3,4 diaminobenzoic acid
    • 3.4-diaminobenzoic acid
    • 3,4-diaminobenzenoic acid
    • 3,4-Diamino-benzoic acid
    • Oprea1_646993
    • SCHEMBL77186
    • 4-Carboxybenzene-1,2-diamin
    • aniline, 2-amino-4-carboxy-
    • 4-Carboxy-1,2-benzenediamine
    • CHEMBL3305820
    • SCHEMBL20853604
    • SCHEMBL29351778
    • 3,4-Diaminobenzoic acid, 94%
    • 3,4-Diaminobenzoic acid, 97%
    • BB_SC-02405
    • CS-D1364
    • BBL010301
    • CL4162
    • SBB000111
    • STK369460
    • AKOS000120727
    • AC-2482
    • AS-9412
    • FD00484
    • SB76118
    • BP-11460
    • ST029400
    • SY001595
    • DB-021840
    • D1117
    • NS00013556
    • EN300-20892
    • F306854
    • Q27254727
    • F2191-0206
    • Z104484514
    • InChI=1/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11
    • QRM
    • 619-05-6

  • Applications

    3,4-Diaminobenzoic acid (CAS 619-05-6) is used primarily as an aromatic diamine building block in organic synthesis. In industry, it serves as an intermediate for the production of dyes and pigments, including azo dyes and other colorants for textiles, coatings, and inks. It is also employed as a functional monomer or scaffold for specialty polymers and resins, enabling the formation of polyamides or polyimides bearing carboxyl and amino functionalities. The compound is evaluated as a pharmaceutical and agrochemical intermediate, providing a scaffold for heterocyclic and substituted compounds. Additionally, it can be used in cosmetic and personal-care chemistry as a colorant or coupling component, and in analytical or materials research as a ligand precursor or building block for standards.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.06
    methanol 1.8
    isopropanol 0.64
    water 0.77
    ethyl acetate 0.36
    n-propanol 0.48
    acetone 2.0
    n-butanol 0.45
    acetonitrile 0.75
    DMF 11.48
    toluene 0.06
    isobutanol 0.32
    1,4-dioxane 4.88
    methyl acetate 0.48
    THF 9.03
    2-butanone 0.99
    n-pentanol 0.39
    sec-butanol 0.34
    n-hexane 0.03
    ethylene glycol 1.74
    NMP 21.19
    cyclohexane 0.04
    DMSO 16.11
    n-butyl acetate 0.48
    n-octanol 0.41
    chloroform 0.02
    n-propyl acetate 0.25
    acetic acid 4.17
    dichloromethane 0.06
    cyclohexanone 1.55
    propylene glycol 1.14
    isopropyl acetate 0.3
    DMAc 18.33
    2-ethoxyethanol 3.54
    isopentanol 0.53
    n-heptane 0.14
    ethyl formate 0.66
    1,2-dichloroethane 0.09
    n-hexanol 0.69
    2-methoxyethanol 8.47
    isobutyl acetate 0.12
    tetrachloromethane 0.04
    n-pentyl acetate 0.47
    transcutol 3.85
    n-heptanol 0.95
    ethylbenzene 0.08
    MIBK 0.48
    2-propoxyethanol 4.03
    tert-butanol 1.09
    MTBE 0.39
    2-butoxyethanol 3.55
    propionic acid 0.68
    o-xylene 0.14
    formic acid 8.66
    diethyl ether 0.34
    m-xylene 0.09
    p-xylene 0.15
    chlorobenzene 0.05
    dimethyl carbonate 0.6
    n-octane 0.07
    formamide 11.2
    cyclopentanone 3.92
    2-pentanone 0.66
    anisole 0.37
    cyclopentyl methyl ether 0.84
    gamma-butyrolactone 4.88
    1-methoxy-2-propanol 3.6
    pyridine 1.02
    3-pentanone 0.44
    furfural 5.05
    n-dodecane 0.04
    diethylene glycol 5.63
    diisopropyl ether 0.15
    tert-amyl alcohol 0.68
    acetylacetone 1.47
    n-hexadecane 0.05
    acetophenone 0.7
    methyl propionate 0.46
    isopentyl acetate 0.53
    trichloroethylene 0.1
    n-nonanol 0.49
    cyclohexanol 0.37
    benzyl alcohol 0.5
    2-ethylhexanol 0.48
    isooctanol 0.71
    dipropyl ether 0.73
    1,2-dichlorobenzene 0.09
    ethyl lactate 0.59
    propylene carbonate 1.51
    n-methylformamide 3.69
    2-pentanol 0.25
    n-pentane 0.02
    1-propoxy-2-propanol 2.12
    1-methoxy-2-propyl acetate 1.19
    2-(2-methoxypropoxy) propanol 3.0
    mesitylene 0.11
    ε-caprolactone 1.64
    p-cymene 0.28
    epichlorohydrin 2.33
    1,1,1-trichloroethane 0.05
    2-aminoethanol 2.12
    morpholine-4-carbaldehyde 13.63
    sulfolane 9.69
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.0
    n-hexyl acetate 0.53
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 4.25
    sec-butyl acetate 0.18
    tert-butyl acetate 0.58
    decalin 0.03
    glycerin 4.71
    diglyme 7.07
    acrylic acid 1.09
    isopropyl myristate 0.31
    n-butyric acid 0.78
    acetyl acetate 0.4
    di(2-ethylhexyl) phthalate 0.79
    ethyl propionate 0.26
    nitromethane 6.23
    1,2-diethoxyethane 0.89
    benzonitrile 0.32
    trioctyl phosphate 0.57
    1-bromopropane 0.04
    gamma-valerolactone 8.79
    n-decanol 0.4
    triethyl phosphate 0.56
    4-methyl-2-pentanol 0.26
    propionitrile 0.25
    vinylene carbonate 0.89
    1,1,2-trichlorotrifluoroethane 2.91
    DMS 0.56
    cumene 0.11
    2-octanol 0.41
    2-hexanone 0.45
    octyl acetate 0.5
    limonene 0.32
    1,2-dimethoxyethane 5.14
    ethyl orthosilicate 0.55
    tributyl phosphate 0.42
    diacetone alcohol 2.0
    N,N-dimethylaniline 0.58
    acrylonitrile 0.45
    aniline 0.24
    1,3-propanediol 2.93
    bromobenzene 0.04
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.11
    2-methyl-cyclohexyl acetate 0.6
    tetrabutyl urea 1.14
    diisobutyl methanol 0.4
    2-phenylethanol 0.87
    styrene 0.07
    dioctyl adipate 0.6
    dimethyl sulfate 1.94
    ethyl butyrate 0.48
    methyl lactate 1.39
    butyl lactate 0.85
    diethyl carbonate 0.37
    propanediol butyl ether 2.2
    triethyl orthoformate 0.61
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 2.09
    morpholine 4.89
    tert-butylamine 0.34
    n-dodecanol 0.32
    dimethoxymethane 3.72
    ethylene carbonate 0.69
    cyrene 5.25
    2-ethoxyethyl acetate 0.94
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 0.17
    4-methylpyridine 0.58
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.4
    DEF 2.04
    dimethyl isosorbide 5.75
    tetrachloroethylene 0.14
    eugenol 2.5
    triacetin 1.03
    span 80 2.37
    1,4-butanediol 1.1
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.41
    methyl formate 2.34
    2-methyl-1-butanol 0.37
    n-decane 0.06
    butyronitrile 0.32
    3,7-dimethyl-1-octanol 0.35
    1-chlorooctane 0.12
    1-chlorotetradecane 0.08
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.03
    cyclooctane 0.03
    cyclopentanol 0.85
    tetrahydropyran 0.9
    tert-amyl methyl ether 0.39
    2,5,8-trioxanonane 6.84
    1-hexene 0.08
    2-isopropoxyethanol 1.66
    2,2,2-trifluoroethanol 2.02
    methyl butyrate 0.43

    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