4-Aminoacetophenone

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  • Identifiers

    CAS number
    99-92-3

    Molecular formula
    C8H9NO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 81.17%
    Floral 77.57%
    Hawthorn 50.76%
    Powdery 47.41%
    Cherry 42.36%
    Hay 41.31%
    Neroli 40.9%
    Honey 39.91%
    Phenolic 39.31%
    Grape 39.2%

     

    Flavor
    Sweet 83.75%
    Hawthorn 53.54%
    Cherry 44.16%
    Almond 43.71%
    Floral 42.59%
    Phenolic 41.6%
    Mimosa 40.23%
    Bitter 39.48%
    Powdery 39.32%
    Balsam 35.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    4.59 (weak acid)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 106 °C

    Boiling point

    • 294 °C; 195 °C at 15 mm Hg

    Flash point

    • 135.98 ˚C est.

    Solubility expt.

    • Soluble in hydrochloric acid
    • Very soluble in ether and ethanol
    • In water, 3.35X10+3 mg/L at 37 °C

  • Synonyms

    • 4'-Aminoacetophenone
    • 99-92-3
    • 4-Aminoacetophenone
    • 1-(4-Aminophenyl)ethanone
    • p-Aminoacetophenone
    • 4-ACETYLANILINE
    • p-Acetylaniline
    • Ethanone, 1-(4-aminophenyl)-
    • p-Aminoacetylbenzene
    • 1-(4-Aminophenyl)Ethan-1-One
    • Acetophenone, 4'-amino-
    • Acetophenone, p-amino-
    • Acetophenone, 4-amino-
    • p-Aminoacetofenonu
    • p-amino acetophenone
    • USAF EK-631
    • MFCD00007896
    • CCRIS 5061
    • 1-acetyl-4-aminobenzene
    • HSDB 2711
    • NSC 3242
    • EINECS 202-801-2
    • 1-(4-Aminophenyl)-ethanone
    • UNII-1S58KH902I
    • BRN 0471493
    • AI3-01092
    • NSC-3242
    • 4-AMINO-ACETOPHENON
    • 4-ACETYLANILINE [HSDB]
    • DTXSID6052669
    • 1S58KH902I
    • 4-14-00-00100 (Beilstein Handbook Reference)
    • p-Aminoacetofenonu [Polish]
    • 4'-aminoacetophenon
    • 4-Acetylaniline; p-Aminoacetophenone; p-Aminoacetylbenzene
    • pAcetylaniline
    • 4-acetylanilin
    • pAminoacetofenonu
    • pAminoacetophenone
    • p-aminoacetophenon
    • pAminoacetylbenzene
    • 4'aminoacetophenone
    • p-amino-acetophenone
    • Acetophenone, pamino
    • 4-acetyl phenylamine
    • 4-amino acetophenone
    • para-aminoacetophenone
    • Acetophenone, 4amino
    • aniline, 4-acetyl-
    • para-amino acetophenone
    • 4'-Amino acetophenone
    • 1(4Aminophenyl)ethanone
    • Ethanone, 1(4aminophenyl)
    • WLN: ZR DV1
    • 1-(4-aminophenyl) ethanone
    • 4'-Aminoacetophenone, 99%
    • SCHEMBL223335
    • 1-(4-amino-phenyl)-ethanone
    • CHEMBL3278329
    • DTXCID7031242
    • SCHEMBL12918413
    • NSC3242
    • BCP30575
    • STR00944
    • STL181959
    • AKOS000119076
    • CS-W009534
    • FA17680
    • HY-W008818
    • PS-4587
    • SB75393
    • BP-13068
    • SY011145
    • A0251
    • NS00009372
    • 4 inverted exclamation mark -Aminoacetophenone
    • EN300-17971
    • F11286
    • p-Aminoacetophenone; 1-(4-Aminophenyl)-ethanone
    • AC-907/25014209
    • AE-641/02305020
    • 1-(4-Aminophenyl)ethanone;1-Acetyl-4-aminobenzene
    • Q27252822
    • Z57127377
    • F2146-0311
    • CLENBUTEROL HYDROCHLORIDE IMPURITY D [EP IMPURITY]
    • 4'-Aminoacetophenone, for spectrophotometric det. of Ce, Pd, >=98.0% (NT)
    • 4'-Aminoacetophenone, Pharmaceutical Secondary Standard; Certified Reference Material
    • 1-(4-Aminophenyl)ethanone;p-Aminoacetophenone; 1-Acetyl-4-aminobenzene; 4-Acetylaniline; 4-Acetylphenylamine;Clenbuterol Impurity D

  • Applications

    4-Aminoacetophenone (CAS 99-92-3) is primarily used as an organic intermediate in industrial synthesis, serving as a precursor for pharmaceuticals and related aryl-amine derivatives; it is employed in the dye and pigment sector through transformations such as diazotization and azo coupling; it functions as a building block in fragrance chemistry and related flavor-compound syntheses; it can be converted into functionalized monomers or derivatives for polymers and plastics; and it is used in coatings and inks as a dyeing or color-forming intermediate, with applications subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 142.04
    methanol 243.91
    isopropanol 78.52
    water 20.09
    ethyl acetate 77.08
    n-propanol 88.42
    acetone 228.16
    n-butanol 67.16
    acetonitrile 164.13
    DMF 354.35
    toluene 6.96
    isobutanol 46.79
    1,4-dioxane 520.32
    methyl acetate 102.5
    THF 416.05
    2-butanone 94.01
    n-pentanol 44.12
    sec-butanol 45.11
    n-hexane 1.14
    ethylene glycol 55.25
    NMP 290.19
    cyclohexane 2.35
    DMSO 342.26
    n-butyl acetate 33.64
    n-octanol 35.11
    chloroform 61.61
    n-propyl acetate 43.04
    acetic acid 222.47
    dichloromethane 104.63
    cyclohexanone 145.69
    propylene glycol 56.5
    isopropyl acetate 36.37
    DMAc 214.84
    2-ethoxyethanol 108.01
    isopentanol 46.01
    n-heptane 2.72
    ethyl formate 94.9
    1,2-dichloroethane 51.12
    n-hexanol 39.64
    2-methoxyethanol 226.69
    isobutyl acetate 24.72
    tetrachloromethane 8.95
    n-pentyl acetate 30.99
    transcutol 333.71
    n-heptanol 30.44
    ethylbenzene 4.93
    MIBK 35.57
    2-propoxyethanol 104.26
    tert-butanol 83.24
    MTBE 39.07
    2-butoxyethanol 70.35
    propionic acid 97.54
    o-xylene 9.1
    formic acid 157.57
    diethyl ether 55.12
    m-xylene 7.06
    p-xylene 10.0
    chlorobenzene 21.7
    dimethyl carbonate 52.02
    n-octane 1.5
    formamide 263.04
    cyclopentanone 251.31
    2-pentanone 62.21
    anisole 42.03
    cyclopentyl methyl ether 77.86
    gamma-butyrolactone 326.09
    1-methoxy-2-propanol 121.97
    pyridine 93.41
    3-pentanone 45.24
    furfural 210.26
    n-dodecane 1.81
    diethylene glycol 108.69
    diisopropyl ether 10.52
    tert-amyl alcohol 48.58
    acetylacetone 101.36
    n-hexadecane 1.99
    acetophenone 41.49
    methyl propionate 65.58
    isopentyl acetate 31.54
    trichloroethylene 87.69
    n-nonanol 32.13
    cyclohexanol 44.5
    benzyl alcohol 35.43
    2-ethylhexanol 22.84
    isooctanol 22.2
    dipropyl ether 29.12
    1,2-dichlorobenzene 22.73
    ethyl lactate 29.88
    propylene carbonate 127.31
    n-methylformamide 202.88
    2-pentanol 28.68
    n-pentane 1.34
    1-propoxy-2-propanol 56.85
    1-methoxy-2-propyl acetate 53.14
    2-(2-methoxypropoxy) propanol 69.67
    mesitylene 5.58
    ε-caprolactone 120.13
    p-cymene 8.73
    epichlorohydrin 240.03
    1,1,1-trichloroethane 32.59
    2-aminoethanol 88.77
    morpholine-4-carbaldehyde 308.68
    sulfolane 262.78
    2,2,4-trimethylpentane 1.37
    2-methyltetrahydrofuran 162.48
    n-hexyl acetate 50.93
    isooctane 1.09
    2-(2-butoxyethoxy)ethanol 109.28
    sec-butyl acetate 23.86
    tert-butyl acetate 42.17
    decalin 1.81
    glycerin 102.14
    diglyme 203.57
    acrylic acid 101.88
    isopropyl myristate 20.52
    n-butyric acid 99.41
    acetyl acetate 65.97
    di(2-ethylhexyl) phthalate 27.32
    ethyl propionate 34.83
    nitromethane 417.78
    1,2-diethoxyethane 79.4
    benzonitrile 43.55
    trioctyl phosphate 20.26
    1-bromopropane 16.18
    gamma-valerolactone 322.56
    n-decanol 24.19
    triethyl phosphate 24.58
    4-methyl-2-pentanol 18.4
    propionitrile 71.14
    vinylene carbonate 111.83
    1,1,2-trichlorotrifluoroethane 117.88
    DMS 48.14
    cumene 5.93
    2-octanol 18.88
    2-hexanone 44.12
    octyl acetate 30.49
    limonene 13.59
    1,2-dimethoxyethane 196.62
    ethyl orthosilicate 22.7
    tributyl phosphate 23.78
    diacetone alcohol 67.13
    N,N-dimethylaniline 25.23
    acrylonitrile 96.74
    aniline 33.03
    1,3-propanediol 118.88
    bromobenzene 14.68
    dibromomethane 37.68
    1,1,2,2-tetrachloroethane 56.69
    2-methyl-cyclohexyl acetate 35.09
    tetrabutyl urea 31.42
    diisobutyl methanol 13.8
    2-phenylethanol 37.16
    styrene 6.51
    dioctyl adipate 36.0
    dimethyl sulfate 77.97
    ethyl butyrate 34.63
    methyl lactate 49.9
    butyl lactate 32.13
    diethyl carbonate 29.98
    propanediol butyl ether 67.52
    triethyl orthoformate 30.38
    p-tert-butyltoluene 8.37
    methyl 4-tert-butylbenzoate 47.97
    morpholine 367.47
    tert-butylamine 35.07
    n-dodecanol 17.82
    dimethoxymethane 169.72
    ethylene carbonate 96.58
    cyrene 77.86
    2-ethoxyethyl acetate 57.2
    2-ethylhexyl acetate 23.34
    1,2,4-trichlorobenzene 31.55
    4-methylpyridine 64.41
    dibutyl ether 29.37
    2,6-dimethyl-4-heptanol 13.8
    DEF 87.38
    dimethyl isosorbide 118.51
    tetrachloroethylene 34.17
    eugenol 49.12
    triacetin 67.04
    span 80 58.82
    1,4-butanediol 41.87
    1,1-dichloroethane 37.94
    2-methyl-1-pentanol 32.35
    methyl formate 174.44
    2-methyl-1-butanol 39.0
    n-decane 2.79
    butyronitrile 63.11
    3,7-dimethyl-1-octanol 24.84
    1-chlorooctane 12.13
    1-chlorotetradecane 5.68
    n-nonane 2.37
    undecane 2.19
    tert-butylcyclohexane 1.89
    cyclooctane 0.95
    cyclopentanol 79.71
    tetrahydropyran 170.85
    tert-amyl methyl ether 26.58
    2,5,8-trioxanonane 144.93
    1-hexene 5.36
    2-isopropoxyethanol 59.61
    2,2,2-trifluoroethanol 94.13
    methyl butyrate 49.27

    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