3'-Aminoacetophenone

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  • Identifiers

    CAS number
    99-03-6

    Molecular formula
    C8H9NO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 73.7%
    Floral 71.91%
    Powdery 44.23%
    Hawthorn 42.72%
    Honey 38.91%
    Neroli 38.09%
    Grape 37.67%
    Cherry 37.6%
    Hay 36.98%
    Fruity 36.18%

     

    Flavor
    Sweet 80.95%
    Hawthorn 48.71%
    Floral 43.44%
    Phenolic 42.98%
    Cherry 41.58%
    Powdery 39.57%
    Almond 39.23%
    Mimosa 37.75%
    Balsam 34.67%
    Woody 34.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    4.95 (weak acid)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 126.47 ˚C est.

  • Synonyms

    • 3'-Aminoacetophenone
    • 1-(3-Aminophenyl)ethanone
    • 99-03-6
    • 3-AMINOACETOPHENONE
    • 3-Acetylaniline
    • m-Aminoacetophenone
    • Ethanone, 1-(3-aminophenyl)-
    • m-Acetylaniline
    • 1-(3-aminophenyl)ethan-1-one
    • m-Aminoacetylbenzene
    • Acetophenone, 3'-amino-
    • Acetophenone, m-amino-
    • 3-Aminoacetofenon
    • NSC 7637
    • 3-aminoacetophenon
    • EINECS 202-722-3
    • MFCD00007796
    • 3-Acetylphenylamine
    • BRN 0386009
    • meta-aminoacetophenone
    • AI3-14674
    • .beta.-Aminoacetophenone
    • ACETOPHENONE,3-AMINO
    • 1-(3-amino-phenyl)-ethanone
    • CHEMBL3408644
    • DTXSID0021830
    • 4-14-00-00096 (Beilstein Handbook Reference)
    • NSC-7637
    • beta-Aminoacetophenone
    • 3-Aminoacetofenon [Czech]
    • 3-acetyl-phenylamine
    • 3-amino acetophenone
    • aniline, 3-acetyl-
    • 3'-Amino-acetophenone
    • WLN: ZR CV1
    • 1-(3-aminophenyl)-ethanone
    • 3'-Aminoacetophenone, 97%
    • SCHEMBL330495
    • DTXCID601830
    • H366ULD45X
    • NSC7637
    • CHEBI:182866
    • STR02986
    • BDBM50546257
    • STL168894
    • AKOS000119494
    • CS-W013353
    • FA34420
    • HY-W012637
    • SY001475
    • DB-029992
    • A0249
    • NS00010817
    • 3 inverted exclamation mark -Aminoacetophenone
    • 3 inverted exclamation marka-Aminoacetophenone
    • EN300-17986
    • m-Aminoacetophenone;1-(3-Aminophenyl)ethanone
    • D70852
    • Q27453668
    • Z57127443
    • F2146-0312
    • 202-722-3
    • 3AO

  • Applications

    3'-Aminoacetophenone is primarily used as an organic intermediate in chemical synthesis. In industrial manufacturing, it serves as a versatile building block for the production of dyes and pigment precursors and as a synthetic intermediate for pharmaceutical and agrochemical compounds. In fragrance and cosmetics, it is commonly evaluated as a precursor to aroma compounds. In coatings, inks, and polymers, it is explored as a starting point for functional monomers or crosslinkers. It is also employed in research and development as a reference reagent, and its use is typically subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.16
    methanol 379.73
    isopropanol 147.79
    water 12.13
    ethyl acetate 123.18
    n-propanol 154.78
    acetone 300.8
    n-butanol 113.59
    acetonitrile 143.84
    DMF 599.05
    toluene 21.76
    isobutanol 85.9
    1,4-dioxane 265.79
    methyl acetate 157.93
    THF 370.84
    2-butanone 175.61
    n-pentanol 75.96
    sec-butanol 92.14
    n-hexane 2.73
    ethylene glycol 118.55
    NMP 194.64
    cyclohexane 1.11
    DMSO 506.46
    n-butyl acetate 37.5
    n-octanol 47.97
    chloroform 136.2
    n-propyl acetate 44.61
    acetic acid 114.98
    dichloromethane 116.15
    cyclohexanone 117.18
    propylene glycol 98.12
    isopropyl acetate 46.04
    DMAc 353.74
    2-ethoxyethanol 168.78
    isopentanol 72.17
    n-heptane 3.2
    ethyl formate 102.3
    1,2-dichloroethane 75.62
    n-hexanol 79.86
    2-methoxyethanol 339.92
    isobutyl acetate 29.4
    tetrachloromethane 22.51
    n-pentyl acetate 34.25
    transcutol 166.01
    n-heptanol 47.46
    ethylbenzene 16.72
    MIBK 60.81
    2-propoxyethanol 163.52
    tert-butanol 124.83
    MTBE 66.07
    2-butoxyethanol 93.61
    propionic acid 103.08
    o-xylene 18.81
    formic acid 110.64
    diethyl ether 76.79
    m-xylene 22.18
    p-xylene 21.16
    chlorobenzene 36.96
    dimethyl carbonate 72.69
    n-octane 2.41
    formamide 148.24
    cyclopentanone 224.71
    2-pentanone 113.92
    anisole 67.52
    cyclopentyl methyl ether 83.86
    gamma-butyrolactone 218.51
    1-methoxy-2-propanol 199.43
    pyridine 93.23
    3-pentanone 77.69
    furfural 179.14
    n-dodecane 2.71
    diethylene glycol 179.51
    diisopropyl ether 14.6
    tert-amyl alcohol 78.95
    acetylacetone 122.32
    n-hexadecane 2.97
    acetophenone 54.2
    methyl propionate 120.39
    isopentyl acetate 37.1
    trichloroethylene 129.06
    n-nonanol 39.99
    cyclohexanol 45.98
    benzyl alcohol 55.81
    2-ethylhexanol 35.4
    isooctanol 35.36
    dipropyl ether 32.55
    1,2-dichlorobenzene 38.53
    ethyl lactate 43.6
    propylene carbonate 90.48
    n-methylformamide 273.94
    2-pentanol 55.66
    n-pentane 1.86
    1-propoxy-2-propanol 84.51
    1-methoxy-2-propyl acetate 63.82
    2-(2-methoxypropoxy) propanol 63.86
    mesitylene 13.33
    ε-caprolactone 88.34
    p-cymene 13.84
    epichlorohydrin 219.68
    1,1,1-trichloroethane 67.83
    2-aminoethanol 161.72
    morpholine-4-carbaldehyde 246.9
    sulfolane 208.58
    2,2,4-trimethylpentane 2.39
    2-methyltetrahydrofuran 141.15
    n-hexyl acetate 53.71
    isooctane 2.26
    2-(2-butoxyethoxy)ethanol 89.84
    sec-butyl acetate 28.43
    tert-butyl acetate 49.93
    decalin 2.84
    glycerin 153.85
    diglyme 160.2
    acrylic acid 88.93
    isopropyl myristate 21.62
    n-butyric acid 106.49
    acetyl acetate 57.9
    di(2-ethylhexyl) phthalate 25.47
    ethyl propionate 46.96
    nitromethane 270.87
    1,2-diethoxyethane 50.1
    benzonitrile 54.07
    trioctyl phosphate 21.35
    1-bromopropane 40.35
    gamma-valerolactone 243.71
    n-decanol 30.08
    triethyl phosphate 24.53
    4-methyl-2-pentanol 34.23
    propionitrile 98.22
    vinylene carbonate 85.18
    1,1,2-trichlorotrifluoroethane 145.08
    DMS 48.11
    cumene 15.09
    2-octanol 30.7
    2-hexanone 60.79
    octyl acetate 30.6
    limonene 18.06
    1,2-dimethoxyethane 212.53
    ethyl orthosilicate 23.21
    tributyl phosphate 21.95
    diacetone alcohol 89.75
    N,N-dimethylaniline 45.85
    acrylonitrile 133.11
    aniline 50.68
    1,3-propanediol 179.94
    bromobenzene 29.52
    dibromomethane 66.02
    1,1,2,2-tetrachloroethane 106.79
    2-methyl-cyclohexyl acetate 32.23
    tetrabutyl urea 32.21
    diisobutyl methanol 21.3
    2-phenylethanol 55.56
    styrene 19.54
    dioctyl adipate 29.34
    dimethyl sulfate 128.56
    ethyl butyrate 31.99
    methyl lactate 85.01
    butyl lactate 37.32
    diethyl carbonate 25.91
    propanediol butyl ether 76.81
    triethyl orthoformate 25.49
    p-tert-butyltoluene 14.04
    methyl 4-tert-butylbenzoate 55.81
    morpholine 241.15
    tert-butylamine 51.8
    n-dodecanol 22.4
    dimethoxymethane 249.1
    ethylene carbonate 68.89
    cyrene 70.01
    2-ethoxyethyl acetate 51.06
    2-ethylhexyl acetate 28.0
    1,2,4-trichlorobenzene 45.32
    4-methylpyridine 94.68
    dibutyl ether 30.54
    2,6-dimethyl-4-heptanol 21.3
    DEF 118.0
    dimethyl isosorbide 91.47
    tetrachloroethylene 66.88
    eugenol 63.81
    triacetin 46.98
    span 80 53.43
    1,4-butanediol 79.24
    1,1-dichloroethane 82.74
    2-methyl-1-pentanol 52.62
    methyl formate 200.83
    2-methyl-1-butanol 68.0
    n-decane 4.49
    butyronitrile 88.77
    3,7-dimethyl-1-octanol 34.13
    1-chlorooctane 21.36
    1-chlorotetradecane 8.36
    n-nonane 4.04
    undecane 3.38
    tert-butylcyclohexane 4.07
    cyclooctane 0.82
    cyclopentanol 75.55
    tetrahydropyran 118.7
    tert-amyl methyl ether 47.69
    2,5,8-trioxanonane 108.51
    1-hexene 17.14
    2-isopropoxyethanol 92.5
    2,2,2-trifluoroethanol 70.44
    methyl butyrate 61.55

    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