Phenacemide

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  • Identifiers

    CAS number
    63-98-9

    Molecular formula
    C9H10N2O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 39.0%
    Savory 29.74%
    Fruity 27.82%
    Meaty 26.23%
    Cooked 26.01%
    Sweet 25.52%
    Cheesy 23.78%
    Grape 22.81%
    Bitter 22.14%
    Cocoa 20.13%

     

    Flavor
    Odorless 46.33%
    Mild 38.59%
    Sour 29.05%
    Honey 23.34%
    Fruity 22.92%
    Honeysuckle 22.72%
    Faint 22.16%
    Yeast 22.02%
    Urine 21.11%
    Nitrile 20.4%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.52 (weak base)

    Molecular weight
    178.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    379°C

    Melting point expt.

    • 215 °C
    • 212-216 °C

    Flash point

    • 180.21 ˚C est.

    Solubility expt.

    • 10.2 g/L
    • VERY SLIGHTLY SOL IN WATER; SLIGHTLY SOL IN ALC, BENZENE, CHLOROFORM, ETHER
    • SLIGHTLY SOL IN ACETONE
    • 1.06e+00 g/L

  • Synonyms

    • phenacemide
    • Phenylacetylurea
    • Phenurone
    • 63-98-9
    • Phenacetylurea
    • Phenuron
    • Cetylureum
    • Fenacemid
    • Neophedan
    • Phacetur
    • Phenacalum
    • Phenacetur
    • Phenicarb
    • Phetylureum
    • Phenacetylcarbamide
    • Acetylureum
    • Carbanmide
    • Comitiadone
    • Fenacemide
    • Fenacetamide
    • Fenostenyl
    • Neophenal
    • Phenacereum
    • Phenarone
    • Epheron
    • Epiclase
    • Felurea
    • Fenilep
    • Fenised
    • Fenural
    • Fenurea
    • Fenurone
    • Fenytan
    • Phenutal
    • Phenyrit
    • Efron
    • (Phenylacetyl)urea
    • Eferon
    • Phenylacetyluree
    • Fenacetil-karbamide
    • N-carbamoyl-2-phenylacetamide
    • Carbamide phenylacetate
    • Fenylacetylmocovina
    • Fenacemida
    • Phenacemidum
    • Phenacerum
    • Urea, (phenylacetyl)-
    • Benzeneacetamide, N-(aminocarbonyl)-
    • N-(Aminocarbonyl)benzeneacetamide
    • (2-phenylacetyl)urea
    • Fenacemida [INN-Spanish]
    • Phenacemidum [INN-Latin]
    • A-1348
    • NSC 39458
    • HSDB 3380
    • EINECS 200-570-2
    • UNII-PAI7J52V09
    • NSC-39458
    • BRN 2048735
    • PAI7J52V09
    • DTXSID6023442
    • .alpha.-Phenylacetylurea
    • Phenacemide [USP:INN:BAN]
    • CHEBI:8049
    • DTXCID103442
    • 4-09-00-01636 (Beilstein Handbook Reference)
    • Fenacemide [DCIT]
    • NCGC00094754-01
    • Fenacemida (INN-Spanish)
    • Phenacemidum (INN-Latin)
    • PHENACEMIDE (MART.)
    • PHENACEMIDE [MART.]
    • Phenylacetyluree [French]
    • Fenylacetylmocovina [Czech]
    • Phenacemide (USP:INN:BAN)
    • CAS-63-98-9
    • Phenurone (TN)
    • alpha-Phenylacetylurea
    • Phenacemide (JAN/INN)
    • N-(aminocarbonyl)-2-phenylacetamide
    • N-(Phenylacetyl)urea
    • Spectrum_000923
    • N-(Phenylacetyl)urea #
    • PHENACEMIDE [MI]
    • Spectrum2_001019
    • Spectrum3_000679
    • Spectrum4_000473
    • Spectrum5_001240
    • PHENACEMIDE [INN]
    • PHENACEMIDE [JAN]
    • WLN: ZVMV1R
    • PHENACEMIDE [HSDB]
    • CHEMBL918
    • PHENACEMIDE [VANDF]
    • SCHEMBL35118
    • BSPBio_002377
    • KBioGR_000946
    • KBioSS_001403
    • PHENACEMIDE [WHO-DD]
    • DivK1c_000320
    • SPECTRUM1500472
    • SPBio_001177
    • GTPL7265
    • HMS500P22
    • KBio1_000320
    • KBio2_001403
    • KBio2_003971
    • KBio2_006539
    • KBio3_001597
    • PHENACEMIDE [ORANGE BOOK]
    • NINDS_000320
    • HMS1920F16
    • HMS2091N16
    • Pharmakon1600-01500472
    • NSC39458
    • Tox21_111325
    • CCG-40237
    • NSC757266
    • AKOS009156469
    • Tox21_111325_1
    • DB01121
    • NSC-757266
    • IDI1_000320
    • NCGC00094754-02
    • NCGC00094754-03
    • NCGC00094754-05
    • SBI-0051478.P003
    • 1ST164431

  • Applications

    Phenacemide (CAS 63-98-9) is primarily viewed as an organic synthesis intermediate, and in industry it may be used as a feedstock for the preparation of compounds for pharmaceutical and agrochemical applications, and it functions as a building block for specialty polymers and plastics; it is a precursor for the synthesis of dyes and pigments used in coatings and inks; and it may be evaluated as an intermediate for other industrial chemical syntheses, with potential use as a processing aid in specialized formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.99
    methanol 25.6
    isopropanol 2.71
    water 5.05
    ethyl acetate 3.08
    n-propanol 4.81
    acetone 6.68
    n-butanol 2.64
    acetonitrile 4.03
    DMF 169.27
    toluene 0.08
    isobutanol 2.31
    1,4-dioxane 3.28
    methyl acetate 5.72
    THF 17.61
    2-butanone 4.62
    n-pentanol 2.25
    sec-butanol 1.99
    n-hexane 0.02
    ethylene glycol 32.14
    NMP 85.38
    cyclohexane 0.01
    DMSO 137.51
    n-butyl acetate 3.58
    n-octanol 1.08
    chloroform 0.29
    n-propyl acetate 3.35
    acetic acid 27.69
    dichloromethane 0.23
    cyclohexanone 4.84
    propylene glycol 34.9
    isopropyl acetate 1.99
    DMAc 155.52
    2-ethoxyethanol 24.44
    isopentanol 2.45
    n-heptane 0.03
    ethyl formate 5.26
    1,2-dichloroethane 0.22
    n-hexanol 1.8
    2-methoxyethanol 61.55
    isobutyl acetate 2.24
    tetrachloromethane 0.12
    n-pentyl acetate 1.44
    transcutol 41.94
    n-heptanol 1.24
    ethylbenzene 0.15
    MIBK 2.91
    2-propoxyethanol 24.31
    tert-butanol 3.71
    MTBE 0.86
    2-butoxyethanol 10.33
    propionic acid 14.21
    o-xylene 0.19
    formic acid 55.1
    diethyl ether 0.52
    m-xylene 0.17
    p-xylene 0.26
    chlorobenzene 0.21
    dimethyl carbonate 11.68
    n-octane 0.01
    formamide 67.08
    cyclopentanone 14.59
    2-pentanone 2.83
    anisole 2.0
    cyclopentyl methyl ether 2.14
    gamma-butyrolactone 27.04
    1-methoxy-2-propanol 32.94
    pyridine 1.84
    3-pentanone 1.87
    furfural 26.24
    n-dodecane 0.02
    diethylene glycol 42.73
    diisopropyl ether 0.2
    tert-amyl alcohol 2.88
    acetylacetone 8.67
    n-hexadecane 0.02
    acetophenone 4.24
    methyl propionate 7.51
    isopentyl acetate 3.8
    trichloroethylene 0.77
    n-nonanol 1.07
    cyclohexanol 0.97
    benzyl alcohol 3.24
    2-ethylhexanol 1.19
    isooctanol 1.12
    dipropyl ether 1.24
    1,2-dichlorobenzene 0.43
    ethyl lactate 10.5
    propylene carbonate 14.82
    n-methylformamide 49.76
    2-pentanol 0.98
    n-pentane 0.01
    1-propoxy-2-propanol 13.82
    1-methoxy-2-propyl acetate 11.49
    2-(2-methoxypropoxy) propanol 18.22
    mesitylene 0.16
    ε-caprolactone 7.84
    p-cymene 0.4
    epichlorohydrin 9.67
    1,1,1-trichloroethane 0.28
    2-aminoethanol 34.93
    morpholine-4-carbaldehyde 59.36
    sulfolane 52.91
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 3.56
    n-hexyl acetate 2.36
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 17.88
    sec-butyl acetate 2.0
    tert-butyl acetate 3.15
    decalin 0.03
    glycerin 78.39
    diglyme 31.2
    acrylic acid 21.39
    isopropyl myristate 1.09
    n-butyric acid 8.92
    acetyl acetate 3.05
    di(2-ethylhexyl) phthalate 4.06
    ethyl propionate 4.05
    nitromethane 54.09
    1,2-diethoxyethane 2.98
    benzonitrile 2.2
    trioctyl phosphate 2.02
    1-bromopropane 0.1
    gamma-valerolactone 33.3
    n-decanol 0.8
    triethyl phosphate 4.01
    4-methyl-2-pentanol 0.99
    propionitrile 2.68
    vinylene carbonate 11.29
    1,1,2-trichlorotrifluoroethane 30.02
    DMS 5.99
    cumene 0.24
    2-octanol 0.57
    2-hexanone 2.98
    octyl acetate 1.71
    limonene 0.45
    1,2-dimethoxyethane 25.23
    ethyl orthosilicate 3.05
    tributyl phosphate 2.74
    diacetone alcohol 12.5
    N,N-dimethylaniline 2.14
    acrylonitrile 5.88
    aniline 0.87
    1,3-propanediol 21.77
    bromobenzene 0.12
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 0.8
    2-methyl-cyclohexyl acetate 4.3
    tetrabutyl urea 4.95
    diisobutyl methanol 0.89
    2-phenylethanol 3.3
    styrene 0.15
    dioctyl adipate 3.63
    dimethyl sulfate 33.71
    ethyl butyrate 3.93
    methyl lactate 26.55
    butyl lactate 5.94
    diethyl carbonate 3.75
    propanediol butyl ether 13.94
    triethyl orthoformate 3.79
    p-tert-butyltoluene 0.38
    methyl 4-tert-butylbenzoate 8.02
    morpholine 7.95
    tert-butylamine 0.88
    n-dodecanol 0.59
    dimethoxymethane 24.48
    ethylene carbonate 7.64
    cyrene 24.83
    2-ethoxyethyl acetate 4.17
    2-ethylhexyl acetate 2.51
    1,2,4-trichlorobenzene 0.78
    4-methylpyridine 1.84
    dibutyl ether 0.7
    2,6-dimethyl-4-heptanol 0.89
    DEF 9.68
    dimethyl isosorbide 28.4
    tetrachloroethylene 0.57
    eugenol 10.8
    triacetin 7.34
    span 80 10.4
    1,4-butanediol 10.41
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 2.15
    methyl formate 29.12
    2-methyl-1-butanol 2.21
    n-decane 0.03
    butyronitrile 1.96
    3,7-dimethyl-1-octanol 1.11
    1-chlorooctane 0.14
    1-chlorotetradecane 0.09
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 3.14
    tetrahydropyran 0.99
    tert-amyl methyl ether 1.08
    2,5,8-trioxanonane 26.32
    1-hexene 0.14
    2-isopropoxyethanol 10.79
    2,2,2-trifluoroethanol 16.9
    methyl butyrate 5.82

    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