Phenacylamine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    613-89-8

    Molecular formula
    C8H9NO

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

  • Odor profile

    Fragrance
    Sweet 40.7%
    Odorless 31.48%
    Bitter 29.43%
    Almond 27.22%
    Spicy 26.65%
    Honey 25.99%
    Burnt 25.0%
    Caramellic 24.75%
    Balsamic 23.26%
    Savory 23.19%

     

    Flavor
    Odorless 32.26%
    Mild 30.16%
    Bitter 25.73%
    Faint 25.14%
    Nutty 24.44%
    Balsam 23.02%
    Phenolic 22.71%
    Urine 22.44%
    Honey 22.37%
    Nitrile 21.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    5.02 (weak acid)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Melting point expt.

    • 20 °C

    Flash point

    • 118.23 ˚C est.

  • Synonyms

    • 2-Aminoacetophenone
    • Phenacylamine
    • 613-89-8
    • 2-Amino-1-phenylethanone
    • 2-Amino-1-phenylethan-1-one
    • 2-Aminoecetophenone
    • Ethanone, 2-amino-1-phenyl-
    • 2-amino-1-phenyl-ethanone
    • alpha-Aminoactophenone
    • alpha-Aminoacetophenone
    • alpha-Demethylcathinone
    • omega-Aminoacetophenone
    • ACETOPHENONE, 2-AMINO-
    • .omega.-Aminoacetophenone
    • 4M571C83H7
    • MLS002207080
    • 2-amino acetophenone
    • 2-amino-1-phenylethanone;hydrochloride
    • SMR001306710
    • EINECS 210-358-1
    • 1-Phenyl-2-aminoethanone
    • BRN 0507952
    • Phenomydrol
    • aminoacetophenone
    • Benzoylmethylamine
    • UNII-4M571C83H7
    • amino acetophenone
    • 2-oxophenethylamine
    • 2amino-acetophenone
    • 2-Amino-acetophenone
    • Spectrum_001806
    • Spectrum2_001993
    • Spectrum3_001033
    • Spectrum4_001167
    • Spectrum5_001836
    • 2-amino-1phenyl-ethanone
    • 2-oxo-2-phenylethanamine
    • 2-oxo-2-phenylethylamine
    • PHENACYLAMINE [MI]
    • 2-amino-1 phenyl-ethanone
    • 2-AAP
    • 2-oxo-2-phenyl-ethyl-amine
    • SCHEMBL45515
    • 2-Amino-1-phenylethanone #
    • BSPBio_002845
    • KBioGR_001773
    • KBioSS_002299
    • 4-14-00-00114 (Beilstein Handbook Reference)
    • SPBio_002205
    • CHEMBL128079
    • SCHEMBL9855165
    • .ALPHA.-AMINOACETOPHENONE
    • .ALPHA.-DEMETHYLCATHINONE
    • 2-Amino-1-phenylethanone, 9CI
    • BDBM96824
    • cid_2723597
    • KBio2_002297
    • KBio2_004865
    • KBio2_007433
    • KBio3_002065
    • DTXSID80210206
    • CHEBI:104022
    • (2-OXO-2-PHENYLETHYL)AMINE
    • BBL028098
    • STK684967
    • ACETOPHENONE, .ALPHA.-AMINO-
    • AKOS004114654
    • SDCCGMLS-0066907.P001
    • 2-amino-1-phenyl-ethanone;hydrochloride
    • 2-azanyl-1-phenyl-ethanone;hydrochloride
    • NCGC00178437-01
    • NCGC00178437-02
    • AC-22359
    • BP-21393
    • NS00034671
    • BRD-K61831307-003-02-1
    • Q27181279

  • Applications

    Phenacylamine (CAS 613-89-8) is primarily used as an intermediate in organic synthesis. In industrial manufacturing and pharmaceutical development, it serves as a building block for the preparation of substituted anilines, heterocycles, and related amine compounds. It is employed in dye and pigment chemistry as a precursor for functionalized amines and coupling partners. In polymer and materials science, it provides routes to specialty monomers and additives via amination or condensation reactions. It may also appear in fragrance chemistry as a precursor to certain aroma compounds under controlled conditions. Its use is typically as an intermediate or starting material rather than a final formulation; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.41
    methanol 198.64
    isopropanol 52.25
    water 38.74
    ethyl acetate 23.21
    n-propanol 61.24
    acetone 75.23
    n-butanol 40.37
    acetonitrile 78.19
    DMF 345.64
    toluene 15.34
    isobutanol 38.08
    1,4-dioxane 114.75
    methyl acetate 38.59
    THF 85.37
    2-butanone 46.22
    n-pentanol 35.84
    sec-butanol 33.07
    n-hexane 2.09
    ethylene glycol 115.15
    NMP 254.35
    cyclohexane 3.56
    DMSO 431.15
    n-butyl acetate 24.82
    n-octanol 33.85
    chloroform 159.09
    n-propyl acetate 27.33
    acetic acid 124.19
    dichloromethane 200.08
    cyclohexanone 93.15
    propylene glycol 50.92
    isopropyl acetate 15.88
    DMAc 225.66
    2-ethoxyethanol 88.62
    isopentanol 29.2
    n-heptane 4.69
    ethyl formate 57.91
    1,2-dichloroethane 103.09
    n-hexanol 36.12
    2-methoxyethanol 138.46
    isobutyl acetate 17.64
    tetrachloromethane 21.01
    n-pentyl acetate 26.18
    transcutol 160.81
    n-heptanol 32.01
    ethylbenzene 16.25
    MIBK 23.9
    2-propoxyethanol 71.59
    tert-butanol 47.57
    MTBE 20.57
    2-butoxyethanol 59.89
    propionic acid 72.32
    o-xylene 21.65
    formic acid 135.5
    diethyl ether 20.38
    m-xylene 17.0
    p-xylene 20.25
    chlorobenzene 48.58
    dimethyl carbonate 33.68
    n-octane 2.98
    formamide 210.67
    cyclopentanone 119.17
    2-pentanone 29.85
    anisole 42.8
    cyclopentyl methyl ether 34.45
    gamma-butyrolactone 155.79
    1-methoxy-2-propanol 76.57
    pyridine 92.9
    3-pentanone 26.69
    furfural 177.91
    n-dodecane 3.1
    diethylene glycol 106.82
    diisopropyl ether 7.13
    tert-amyl alcohol 33.68
    acetylacetone 44.73
    n-hexadecane 3.4
    acetophenone 51.9
    methyl propionate 32.81
    isopentyl acetate 23.88
    trichloroethylene 194.18
    n-nonanol 29.68
    cyclohexanol 32.84
    benzyl alcohol 47.49
    2-ethylhexanol 24.88
    isooctanol 26.23
    dipropyl ether 21.47
    1,2-dichlorobenzene 57.45
    ethyl lactate 35.83
    propylene carbonate 90.52
    n-methylformamide 178.73
    2-pentanol 20.16
    n-pentane 2.17
    1-propoxy-2-propanol 48.72
    1-methoxy-2-propyl acetate 33.87
    2-(2-methoxypropoxy) propanol 51.45
    mesitylene 14.02
    ε-caprolactone 73.86
    p-cymene 16.25
    epichlorohydrin 133.36
    1,1,1-trichloroethane 52.37
    2-aminoethanol 105.82
    morpholine-4-carbaldehyde 193.49
    sulfolane 252.63
    2,2,4-trimethylpentane 2.33
    2-methyltetrahydrofuran 50.25
    n-hexyl acetate 37.41
    isooctane 2.07
    2-(2-butoxyethoxy)ethanol 70.16
    sec-butyl acetate 15.37
    tert-butyl acetate 22.1
    decalin 4.03
    glycerin 102.56
    diglyme 147.34
    acrylic acid 93.32
    isopropyl myristate 18.54
    n-butyric acid 64.5
    acetyl acetate 22.83
    di(2-ethylhexyl) phthalate 25.17
    ethyl propionate 24.15
    nitromethane 189.61
    1,2-diethoxyethane 42.0
    benzonitrile 65.49
    trioctyl phosphate 21.46
    1-bromopropane 30.5
    gamma-valerolactone 153.0
    n-decanol 23.24
    triethyl phosphate 24.52
    4-methyl-2-pentanol 15.27
    propionitrile 54.95
    vinylene carbonate 100.41
    1,1,2-trichlorotrifluoroethane 133.15
    DMS 33.65
    cumene 15.28
    2-octanol 20.79
    2-hexanone 30.19
    octyl acetate 25.47
    limonene 21.26
    1,2-dimethoxyethane 108.1
    ethyl orthosilicate 22.24
    tributyl phosphate 20.87
    diacetone alcohol 47.23
    N,N-dimethylaniline 40.62
    acrylonitrile 97.98
    aniline 38.72
    1,3-propanediol 91.17
    bromobenzene 42.63
    dibromomethane 99.67
    1,1,2,2-tetrachloroethane 142.13
    2-methyl-cyclohexyl acetate 30.06
    tetrabutyl urea 34.75
    diisobutyl methanol 16.37
    2-phenylethanol 43.62
    styrene 19.66
    dioctyl adipate 31.19
    dimethyl sulfate 78.69
    ethyl butyrate 28.77
    methyl lactate 51.03
    butyl lactate 33.42
    diethyl carbonate 25.71
    propanediol butyl ether 56.41
    triethyl orthoformate 25.69
    p-tert-butyltoluene 14.51
    methyl 4-tert-butylbenzoate 57.67
    morpholine 103.88
    tert-butylamine 26.37
    n-dodecanol 18.71
    dimethoxymethane 83.06
    ethylene carbonate 72.15
    cyrene 69.58
    2-ethoxyethyl acetate 35.51
    2-ethylhexyl acetate 18.07
    1,2,4-trichlorobenzene 64.33
    4-methylpyridine 69.51
    dibutyl ether 22.39
    2,6-dimethyl-4-heptanol 16.37
    DEF 68.05
    dimethyl isosorbide 81.22
    tetrachloroethylene 101.12
    eugenol 59.01
    triacetin 47.83
    span 80 47.97
    1,4-butanediol 51.54
    1,1-dichloroethane 65.31
    2-methyl-1-pentanol 27.62
    methyl formate 123.85
    2-methyl-1-butanol 29.38
    n-decane 4.44
    butyronitrile 45.73
    3,7-dimethyl-1-octanol 23.24
    1-chlorooctane 19.09
    1-chlorotetradecane 8.38
    n-nonane 4.11
    undecane 3.69
    tert-butylcyclohexane 3.74
    cyclooctane 1.93
    cyclopentanol 49.9
    tetrahydropyran 49.02
    tert-amyl methyl ether 18.13
    2,5,8-trioxanonane 107.21
    1-hexene 8.61
    2-isopropoxyethanol 53.48
    2,2,2-trifluoroethanol 76.31
    methyl butyrate 38.91

    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