3-Aminobenzoic Acid

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  • Identifiers

    CAS number
    99-05-8

    Molecular formula
    C7H7NO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 43.56%
    Phenolic 39.61%
    Grape 33.24%
    Animal 32.24%
    Sweet 30.32%
    Bitter 29.35%
    Floral 28.84%
    Honey 28.46%
    Burnt 25.84%
    Balsamic 25.6%

     

    Flavor
    Phenolic 49.25%
    Mild 44.2%
    Odorless 42.82%
    Nutty 37.27%
    Faint 36.65%
    Balsam 34.93%
    Sour 34.86%
    Sweet 31.51%
    Honey 30.52%
    Balsamic 29.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    5.67 (weak acid)

    Molecular weight
    137.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Melting point expt.

    • 173 °C

    Flash point

    • 168.91 ˚C est.

    Solubility expt.

    • 5.9 mg/mL at 15 °C
    • >20.6 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • 3-AMINOBENZOIC ACID
    • 99-05-8
    • m-Aminobenzoic acid
    • m-Carboxyaniline
    • Benzoic acid, 3-amino-
    • 3-Carboxyaniline
    • MABA
    • G2X3B3O37U
    • NSC-15012
    • DTXSID3059183
    • CHEBI:42682
    • meta-aminobenzoic acid
    • RefChem:92961
    • DTXCID8049092
    • 202-724-4
    • Benzoic acid, m-amino-
    • Aniline-3-carboxylic acid
    • MFCD00007795
    • Mesalazine EP Impurity D
    • m-Aminobenzoesaeure
    • 3-Aminobenzoesaeure
    • MLS000069458
    • CHEMBL307782
    • Imidogen, (3-carboxyphenyl)-
    • 143450-90-2
    • SMR000059135
    • 3-Aminobenzoic acid, 98%
    • GAB
    • EINECS 202-724-4
    • NSC 15012
    • BRN 0471603
    • UNII-G2X3B3O37U
    • M-Amonibenzoate
    • 3-Aminobenzoic Acid; Mesalazine Imp. D (EP); Mesalazine Impurity D
    • AI3-04707
    • m-aninobenzoic acid
    • GBC
    • M-Amonibenzoic acid
    • m-amino benzoic acid
    • 3-amino benzoic acid
    • Aniline-3-carboxylate
    • 3-Amino-Benzoic Acid
    • 3-anilinecarboxylic acid
    • Opera_ID_150
    • aminobenzenecarboxylic acid
    • WLN: ZR CVQ
    • Oprea1_172994
    • SCHEMBL27648
    • 4-14-00-01092 (Beilstein Handbook Reference)
    • MLS001076476
    • AMINOBENZOIC ACID, M-
    • SCHEMBL343598
    • SCHEMBL444146
    • SCHEMBL445788
    • SCHEMBL446859
    • orb3029235
    • SCHEMBL3045441
    • SCHEMBL6634022
    • SCHEMBL29367812
    • M-AMINOBENZOIC ACID [MI]
    • MSK2374
    • HMS2236H06
    • HMS3369J18
    • BB_SC-12388
    • NSC15012
    • STR00672
    • BBL037339
    • BDBM50226518
    • EBC-48142
    • SBB028148
    • STK301688
    • AKOS000119015
    • CS-W019987
    • DB02054
    • FA07680
    • NCGC00018151-01
    • NCGC00018151-02
    • NCGC00018151-03
    • SY001800
    • DB-022255
    • MESALAZINE IMPURITY D [EP IMPURITY]
    • A0268
    • NS00014560
    • ST45061462
    • EN300-18376
    • D70484
    • F078487
    • Q223045
    • 3-Aminobenzoic Acid(Discontinued,See C4X-132434)
    • 3-Aminobenzoic acid, Vetec(TM) reagent grade, 98%
    • Z57127542
    • F2191-0235
    • 3-Aminobenzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material
    • InChI=1/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10
    • 99-05-8

  • Applications

    3-Aminobenzoic Acid (CAS 99-05-8) is widely used as an organic synthesis intermediate across multiple industries. It serves as a building block for pharmaceutical and agrochemical intermediates, enabling routes to amide, imide and heterocyclic structures. It is also employed as a precursor for azo dyes and pigments via diazotization and coupling reactions. In polymers and coatings, it is used to introduce meta-aminobenzoic functionality into monomers or additives for specialty polymers and finishes. Additionally, it can serve as a starting point for specialized intermediates in research and development, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.86
    methanol 36.0
    isopropanol 10.88
    water 5.29
    ethyl acetate 10.84
    n-propanol 11.35
    acetone 46.55
    n-butanol 8.81
    acetonitrile 5.37
    DMF 189.38
    toluene 1.25
    isobutanol 7.73
    1,4-dioxane 30.66
    methyl acetate 13.71
    THF 361.54
    2-butanone 23.1
    n-pentanol 11.21
    sec-butanol 7.83
    n-hexane 0.28
    ethylene glycol 29.29
    NMP 78.2
    cyclohexane 0.07
    DMSO 195.62
    n-butyl acetate 13.79
    n-octanol 11.38
    chloroform 3.71
    n-propyl acetate 9.4
    acetic acid 15.74
    dichloromethane 3.19
    cyclohexanone 21.91
    propylene glycol 11.6
    isopropyl acetate 8.15
    DMAc 171.83
    2-ethoxyethanol 49.0
    isopentanol 11.43
    n-heptane 0.59
    ethyl formate 14.56
    1,2-dichloroethane 4.62
    n-hexanol 25.69
    2-methoxyethanol 71.14
    isobutyl acetate 4.69
    tetrachloromethane 3.07
    n-pentyl acetate 9.54
    transcutol 21.43
    n-heptanol 19.21
    ethylbenzene 2.45
    MIBK 16.67
    2-propoxyethanol 67.72
    tert-butanol 26.79
    MTBE 10.52
    2-butoxyethanol 39.87
    propionic acid 9.89
    o-xylene 2.24
    formic acid 38.57
    diethyl ether 3.3
    m-xylene 3.08
    p-xylene 2.93
    chlorobenzene 2.38
    dimethyl carbonate 16.27
    n-octane 0.39
    formamide 49.14
    cyclopentanone 89.15
    2-pentanone 22.16
    anisole 13.77
    cyclopentyl methyl ether 22.24
    gamma-butyrolactone 79.69
    1-methoxy-2-propanol 45.7
    pyridine 9.84
    3-pentanone 8.72
    furfural 48.79
    n-dodecane 0.41
    diethylene glycol 70.72
    diisopropyl ether 2.15
    tert-amyl alcohol 20.92
    acetylacetone 32.88
    n-hexadecane 0.46
    acetophenone 14.95
    methyl propionate 15.52
    isopentyl acetate 12.8
    trichloroethylene 9.75
    n-nonanol 11.13
    cyclohexanol 4.86
    benzyl alcohol 13.62
    2-ethylhexanol 12.88
    isooctanol 14.25
    dipropyl ether 8.21
    1,2-dichlorobenzene 3.93
    ethyl lactate 12.61
    propylene carbonate 20.88
    n-methylformamide 59.13
    2-pentanol 5.68
    n-pentane 0.1
    1-propoxy-2-propanol 33.87
    1-methoxy-2-propyl acetate 21.8
    2-(2-methoxypropoxy) propanol 25.12
    mesitylene 2.53
    ε-caprolactone 18.31
    p-cymene 3.62
    epichlorohydrin 67.09
    1,1,1-trichloroethane 4.86
    2-aminoethanol 30.38
    morpholine-4-carbaldehyde 69.91
    sulfolane 90.55
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 44.25
    n-hexyl acetate 12.1
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 31.65
    sec-butyl acetate 5.74
    tert-butyl acetate 14.82
    decalin 0.34
    glycerin 35.25
    diglyme 58.42
    acrylic acid 10.59
    isopropyl myristate 5.95
    n-butyric acid 13.1
    acetyl acetate 6.53
    di(2-ethylhexyl) phthalate 8.16
    ethyl propionate 9.96
    nitromethane 44.11
    1,2-diethoxyethane 8.27
    benzonitrile 8.22
    trioctyl phosphate 8.19
    1-bromopropane 1.33
    gamma-valerolactone 68.66
    n-decanol 8.87
    triethyl phosphate 7.81
    4-methyl-2-pentanol 6.84
    propionitrile 5.0
    vinylene carbonate 13.81
    1,1,2-trichlorotrifluoroethane 45.87
    DMS 8.43
    cumene 2.86
    2-octanol 9.73
    2-hexanone 16.27
    octyl acetate 9.24
    limonene 4.06
    1,2-dimethoxyethane 71.48
    ethyl orthosilicate 7.33
    tributyl phosphate 6.05
    diacetone alcohol 36.46
    N,N-dimethylaniline 12.84
    acrylonitrile 10.05
    aniline 4.14
    1,3-propanediol 32.37
    bromobenzene 1.71
    dibromomethane 1.66
    1,1,2,2-tetrachloroethane 10.84
    2-methyl-cyclohexyl acetate 10.59
    tetrabutyl urea 11.97
    diisobutyl methanol 7.16
    2-phenylethanol 20.79
    styrene 2.05
    dioctyl adipate 7.9
    dimethyl sulfate 43.23
    ethyl butyrate 10.4
    methyl lactate 20.66
    butyl lactate 11.3
    diethyl carbonate 7.02
    propanediol butyl ether 20.04
    triethyl orthoformate 8.15
    p-tert-butyltoluene 3.7
    methyl 4-tert-butylbenzoate 23.18
    morpholine 37.09
    tert-butylamine 8.28
    n-dodecanol 6.5
    dimethoxymethane 79.32
    ethylene carbonate 10.92
    cyrene 31.13
    2-ethoxyethyl acetate 11.48
    2-ethylhexyl acetate 8.53
    1,2,4-trichlorobenzene 4.95
    4-methylpyridine 11.43
    dibutyl ether 4.31
    2,6-dimethyl-4-heptanol 7.16
    DEF 27.65
    dimethyl isosorbide 46.4
    tetrachloroethylene 9.56
    eugenol 27.07
    triacetin 9.54
    span 80 18.9
    1,4-butanediol 19.23
    1,1-dichloroethane 2.92
    2-methyl-1-pentanol 11.77
    methyl formate 49.48
    2-methyl-1-butanol 8.87
    n-decane 0.58
    butyronitrile 6.2
    3,7-dimethyl-1-octanol 9.11
    1-chlorooctane 3.18
    1-chlorotetradecane 1.49
    n-nonane 0.45
    undecane 0.48
    tert-butylcyclohexane 0.54
    cyclooctane 0.09
    cyclopentanol 14.81
    tetrahydropyran 8.08
    tert-amyl methyl ether 9.41
    2,5,8-trioxanonane 46.65
    1-hexene 1.36
    2-isopropoxyethanol 28.95
    2,2,2-trifluoroethanol 17.01
    methyl butyrate 15.6

    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