4-Aminophenylacetic acid

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  • Identifiers

    CAS number
    1197-55-3

    Molecular formula
    C8H9NO2

    SMILES
    C1=CC(=CC=C1CC(=O)O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 65.57%
    Sweet 55.34%
    Honey 53.65%
    Animal 42.41%
    Powdery 36.38%
    Grape 32.37%
    Phenolic 31.63%
    Balsamic 26.76%
    Neroli 26.07%
    Rose 26.02%

     

    Flavor
    Sweet 55.84%
    Floral 46.7%
    Honey 44.52%
    Mild 42.64%
    Sour 40.97%
    Waxy 35.89%
    Odorless 31.08%
    Flower 28.49%
    Honeysuckle 26.26%
    Balsam 24.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.83 (weak acid)

    Molecular weight
    151.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Flash point

    • 175.61 ˚C est.

  • Synonyms

    • 4-Aminophenylacetic acid
    • 1197-55-3
    • Benzeneacetic acid, 4-amino-
    • P-AMINOPHENYLACETIC ACID
    • 4-Aminobenzeneacetic acid
    • Acetic acid, (p-aminophenyl)-
    • p-Amino-alpha-toluic acid
    • 1IED47A544
    • NSC-7929
    • DTXSID1061609
    • RefChem:97863
    • 4-APAA
    • DTXCID3033519
    • 214-828-7
    • 2-(4-aminophenyl)acetic acid
    • (4-aminophenyl)acetic acid
    • 4-Carboxymethylaniline
    • MFCD00007916
    • (para-Aminophenyl)acetic acid
    • (p-Aminophenyl)acetic acid
    • NSC 7929
    • Desacetyl Actarit
    • (4-Amino-phenyl)-acetic acid
    • 4-(Aminophenyl)acetic acid
    • p-Amino-.alpha.-toluic acid
    • CCRIS 3157
    • 4-Aminophenylaceticacid
    • EINECS 214-828-7
    • BRN 2208094
    • UNII-1IED47A544
    • 4-Aminophenylacetic acid, 98%
    • A1EDY
    • Cariprazine Impurity N1
    • p-aminophenyl acetic acid
    • 4-amino phenylacetic acid
    • 4-amino-phenylacetic acid
    • 4-aminophenyl acetic acid
    • 4-aminophenyl-acetic acid
    • 4-aminobenzene acetic acid
    • Para-aminophenylacetic acid
    • 4-amino phenyl acetic acid
    • 4-amino-phenyl acetic acid
    • 4-amino-phenyl-acetic acid
    • (p-aminophenyl)-acetic acid
    • (4-amino-phenyl)acetic acid
    • (4-aminophenyl)-acetic acid
    • 2-(4aminophenyl)acetic acid
    • Oprea1_658624
    • SCHEMBL39103
    • 3-14-00-01182 (Beilstein Handbook Reference)
    • orb3030406
    • SCHEMBL6685093
    • SCHEMBL6808090
    • 2-(4-aminophenyl)-acetic acid
    • 4-(CARBOXYMETHYL)ANILINE
    • CHEMBL3278327
    • 2-(4-amino phenyl)-acetic acid
    • NSC7929
    • BDBM231635
    • BB_NC-00007
    • KXB17446
    • STR03492
    • AC7503
    • BBL018950
    • SBB028301
    • STL139160
    • P-AMINOPHENYLACETIC ACID [MI]
    • AKOS000104762
    • BS-3833
    • CS-W018535
    • BP-24384
    • HY-75476
    • SY001637
    • A0393
    • NS00023881
    • ST50330632
    • EN300-20755
    • 97A553
    • AE-508/40191188
    • F043462
    • Q15726001
    • 4-Aminophenylacetic acid, Vetec(TM) reagent grade, 98%
    • F0001-0324
    • Z104481066
    • InChI=1/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11
    • 1197-55-3

  • Applications

    4-Aminophenylacetic acid (CAS 1197-55-3) is a versatile building block in industrial synthesis, commonly used as an intermediate in pharmaceutical development and in the manufacture of agrochemicals; it also serves as a precursor for dyes and pigments, often through diazotization and amide coupling to form azo dyes; in polymer and coatings chemistry it functions as a functional building block for introducing amino and carboxyl groups, enabling grafting of additives or creation of cross-linkable sites; in the fragrance and cosmetics sector it may be used as an intermediate for fragrance materials and derivatives; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.22
    methanol 40.24
    isopropanol 6.15
    water 23.13
    ethyl acetate 3.28
    n-propanol 7.16
    acetone 12.91
    n-butanol 4.77
    acetonitrile 2.04
    DMF 23.68
    toluene 0.5
    isobutanol 4.63
    1,4-dioxane 2.37
    methyl acetate 5.25
    THF 16.94
    2-butanone 9.61
    n-pentanol 4.23
    sec-butanol 5.37
    n-hexane 0.37
    ethylene glycol 35.75
    NMP 87.03
    cyclohexane 0.07
    DMSO 78.92
    n-butyl acetate 5.08
    n-octanol 2.5
    chloroform 0.72
    n-propyl acetate 3.06
    acetic acid 20.63
    dichloromethane 0.58
    cyclohexanone 6.69
    propylene glycol 25.22
    isopropyl acetate 2.46
    DMAc 75.43
    2-ethoxyethanol 24.27
    isopentanol 5.87
    n-heptane 0.45
    ethyl formate 5.93
    1,2-dichloroethane 0.82
    n-hexanol 8.37
    2-methoxyethanol 40.32
    isobutyl acetate 1.38
    tetrachloromethane 1.6
    n-pentyl acetate 2.59
    transcutol 23.9
    n-heptanol 4.64
    ethylbenzene 0.9
    MIBK 5.06
    2-propoxyethanol 25.78
    tert-butanol 14.31
    MTBE 3.0
    2-butoxyethanol 13.13
    propionic acid 16.27
    o-xylene 1.21
    formic acid 69.23
    diethyl ether 1.3
    m-xylene 0.97
    p-xylene 1.06
    chlorobenzene 0.52
    dimethyl carbonate 6.1
    n-octane 0.12
    formamide 60.81
    cyclopentanone 19.38
    2-pentanone 5.79
    anisole 4.09
    cyclopentyl methyl ether 5.32
    gamma-butyrolactone 26.39
    1-methoxy-2-propanol 21.03
    pyridine 2.0
    3-pentanone 4.31
    furfural 25.71
    n-dodecane 0.07
    diethylene glycol 44.09
    diisopropyl ether 0.77
    tert-amyl alcohol 12.85
    acetylacetone 8.93
    n-hexadecane 0.07
    acetophenone 7.11
    methyl propionate 5.67
    isopentyl acetate 5.16
    trichloroethylene 2.04
    n-nonanol 2.32
    cyclohexanol 2.89
    benzyl alcohol 4.74
    2-ethylhexanol 4.69
    isooctanol 3.5
    dipropyl ether 2.6
    1,2-dichlorobenzene 1.16
    ethyl lactate 8.63
    propylene carbonate 11.46
    n-methylformamide 27.22
    2-pentanol 2.73
    n-pentane 0.16
    1-propoxy-2-propanol 15.77
    1-methoxy-2-propyl acetate 9.51
    2-(2-methoxypropoxy) propanol 18.92
    mesitylene 0.84
    ε-caprolactone 8.68
    p-cymene 1.71
    epichlorohydrin 10.99
    1,1,1-trichloroethane 1.42
    2-aminoethanol 37.44
    morpholine-4-carbaldehyde 29.29
    sulfolane 65.26
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 8.03
    n-hexyl acetate 3.57
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 16.35
    sec-butyl acetate 1.94
    tert-butyl acetate 5.28
    decalin 0.21
    glycerin 59.56
    diglyme 24.24
    acrylic acid 19.61
    isopropyl myristate 1.4
    n-butyric acid 10.78
    acetyl acetate 2.85
    di(2-ethylhexyl) phthalate 4.11
    ethyl propionate 3.68
    nitromethane 25.43
    1,2-diethoxyethane 2.29
    benzonitrile 1.86
    trioctyl phosphate 2.87
    1-bromopropane 0.4
    gamma-valerolactone 25.19
    n-decanol 1.7
    triethyl phosphate 4.61
    4-methyl-2-pentanol 3.03
    propionitrile 1.91
    vinylene carbonate 7.06
    1,1,2-trichlorotrifluoroethane 32.37
    DMS 4.07
    cumene 1.11
    2-octanol 1.98
    2-hexanone 4.82
    octyl acetate 2.22
    limonene 2.02
    1,2-dimethoxyethane 18.51
    ethyl orthosilicate 3.89
    tributyl phosphate 3.08
    diacetone alcohol 18.39
    N,N-dimethylaniline 5.05
    acrylonitrile 3.35
    aniline 2.2
    1,3-propanediol 25.01
    bromobenzene 0.35
    dibromomethane 0.42
    1,1,2,2-tetrachloroethane 2.15
    2-methyl-cyclohexyl acetate 5.19
    tetrabutyl urea 5.43
    diisobutyl methanol 2.76
    2-phenylethanol 7.15
    styrene 0.6
    dioctyl adipate 2.83
    dimethyl sulfate 23.68
    ethyl butyrate 4.41
    methyl lactate 16.01
    butyl lactate 7.01
    diethyl carbonate 3.51
    propanediol butyl ether 13.43
    triethyl orthoformate 3.85
    p-tert-butyltoluene 1.67
    methyl 4-tert-butylbenzoate 11.34
    morpholine 4.57
    tert-butylamine 4.46
    n-dodecanol 1.15
    dimethoxymethane 11.59
    ethylene carbonate 4.79
    cyrene 25.54
    2-ethoxyethyl acetate 4.11
    2-ethylhexyl acetate 3.7
    1,2,4-trichlorobenzene 1.86
    4-methylpyridine 2.44
    dibutyl ether 0.88
    2,6-dimethyl-4-heptanol 2.76
    DEF 8.17
    dimethyl isosorbide 29.81
    tetrachloroethylene 3.04
    eugenol 13.15
    triacetin 5.49
    span 80 11.44
    1,4-butanediol 12.7
    1,1-dichloroethane 0.61
    2-methyl-1-pentanol 5.32
    methyl formate 19.76
    2-methyl-1-butanol 5.83
    n-decane 0.12
    butyronitrile 1.49
    3,7-dimethyl-1-octanol 2.57
    1-chlorooctane 0.5
    1-chlorotetradecane 0.2
    n-nonane 0.11
    undecane 0.09
    tert-butylcyclohexane 0.32
    cyclooctane 0.06
    cyclopentanol 6.57
    tetrahydropyran 1.48
    tert-amyl methyl ether 3.97
    2,5,8-trioxanonane 22.51
    1-hexene 0.84
    2-isopropoxyethanol 12.04
    2,2,2-trifluoroethanol 20.04
    methyl butyrate 5.3

    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