Acetanilide

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  • Identifiers

    CAS number
    103-84-4

    Molecular formula
    C8H9NO

    SMILES
    CC(=O)NC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 64.24%
    Floral 53.2%
    Grape 46.32%
    Sweet 42.59%
    Honey 32.56%
    Meaty 30.19%
    Citrus 29.97%
    Berry 29.58%
    Bitter 26.62%
    Burnt 26.42%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 237.7 °F (NTP, 1992)
    • 114.3 °C

    Boiling point

    • 579 °F at 760 mmHg (NTP, 1992)
    • 304 °C @ 760 MM HG

    Flash point est.
    129.15 ˚C

    Flash point expt.

    • 345 °F (NTP, 1992)
    • 169 °C
    • 337 °F; 169 °C (OPEN CUP)

    Solubility expt.

    • >20.3 [ug/mL] (The mean of the results at pH 7.4)
    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • 1 G SOL IN 185 ML WATER, 3.4 ML ALC, 20 ML BOILING WATER, 3 ML METHANOL, 4 ML ACETONE, 0.6 ML BOILING ALCOHOL, IN 3.7 ML CHLOROFORM, 5 ML GLYCEROL, 8 ML DIOXANE, 47 ML BENZENE, 18 ML ETHER; VERY SPARINGLY SOL IN PETROLEUM ETHER; CHLORAL HYDRATE INCREASES SOLUBILITY IN WATER
    • SOL IN TOLUENE; VERY SOL IN HOT TOLUENE, IN CARBON TETRACHLORIDE
    • Water solubility= 6.93X10+3 mg/l at 25 °C
    • Slightly soluble in water; very soluble in ethanol and acetone; soluble in ethyl ether.
    • 6.39 mg/mL at 25 °C

  • Synonyms

    • acetanilide
    • N-Phenylacetamide
    • 103-84-4
    • Acetamidobenzene
    • Antifebrin
    • Acetanilid
    • Acetanil
    • N-Acetylaniline
    • Acetylaniline
    • Acetamide, N-phenyl-
    • Phenalgene
    • Acetic acid anilide
    • Acetylaminobenzene
    • Acetoanilide
    • Phenalgin
    • Aniline, N-acetyl-
    • Benzenamine, N-acetyl-
    • USAF EK-3
    • N-acetylarylamine
    • NSC 7636
    • N-Acetylaminobenzene
    • Acetanilidum
    • Antifebrinum
    • Caswell No. 003E
    • AN [Analgesic]
    • Acetic acid amide, N-phenyl-
    • MFCD00008674
    • Ethananilide
    • CCRIS 4452
    • Acetanilide (Antifebrin)
    • HSDB 2665
    • NSC-7636
    • EINECS 203-150-7
    • UNII-SP86R356CC
    • N-Phenyl-acetamide
    • SP86R356CC
    • DTXSID2022543
    • CHEBI:28884
    • AI3-01045
    • Acetanilide (Acetylaniline)
    • NSC-203231
    • DTXCID602543
    • NSC7636
    • AN (Analgesic)
    • N-Phenylacetamide;N-Phenylacetamide
    • NCGC00091326-01
    • ACETANILIDE MELTING POINT STANDARD
    • ACETANILIDE (MART.)
    • ACETANILIDE [MART.]
    • ACETANILIDE (USP-RS)
    • ACETANILIDE [USP-RS]
    • N-Phenylacetamide (Acetanilide)
    • Acetamide, N-(phenyl-13C6)-
    • N-phenylethanamide
    • Acetanilide [NF]
    • CAS-103-84-4
    • SMR001306799
    • PARACETAMOL IMPURITY D (EP IMPURITY)
    • PARACETAMOL IMPURITY D [EP IMPURITY]
    • PhNHAc
    • N-phenyl acetamide
    • Acetanilide, 99%
    • Spectrum_000178
    • AZOBENZENE_met003
    • ACETANILIDE [MI]
    • Spectrum2_001434
    • Spectrum3_000935
    • Spectrum4_001034
    • Spectrum5_000989
    • ACETANILIDE [HSDB]
    • WLN: 1VMR
    • ACETANILIDE [VANDF]
    • ACETANILIDUM [HPUS]
    • SCHEMBL24681
    • ACETANILIDE [WHO-DD]
    • KBioGR_001587
    • KBioSS_000658
    • MLS002207284
    • MLS002415707
    • DivK1c_000073
    • SPECTRUM1501173
    • SPBio_001568
    • CHEMBL269644
    • SCHEMBL14255226
    • Acetanilide, LR, >=98.5%
    • HMS500D15
    • KBio1_000073
    • KBio2_000658
    • KBio2_003226
    • KBio2_005794
    • KBio3_001970
    • NINDS_000073
    • ACETANILIDE (RING-13C6)
    • ACETIC ACID,AMIDE,N-PHENYL
    • BCPP000440
    • HMS1921N07
    • HMS2092J11
    • HMS2234E18
    • HMS3374L04
    • HMS3651D07
    • Pharmakon1600-01501173
    • BCP02363
    • Tox21_111113
    • Tox21_200925
    • CCG-38984
    • NSC757879
    • s2538
    • STK046402
    • AKOS000121114
    • Tox21_111113_1
    • ACETIC ACID, AMIDE, N-PHENYL-
    • BCP9000226
    • FA17107
    • NSC-757879
    • Acetanilide, NIST(R) SRM(R) 141d
    • IDI1_000073
    • NCGC00091326-02
    • NCGC00091326-03
    • NCGC00091326-04
    • NCGC00091326-06
    • NCGC00258479-01
    • AS-13389
    • SBI-0051673.P002
    • A3272
    • CS-0010112
    • NS00003596
    • SW220057-1
    • EN300-26568

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 232.71
    methanol 364.96
    isopropanol 143.49
    water 13.7
    ethyl acetate 80.09
    n-propanol 158.67
    acetone 203.76
    n-butanol 116.31
    acetonitrile 131.8
    DMF 654.7
    toluene 22.57
    isobutanol 100.86
    1,4-dioxane 171.96
    methyl acetate 95.05
    THF 211.04
    2-butanone 108.66
    n-pentanol 83.89
    sec-butanol 103.21
    n-hexane 10.1
    ethylene glycol 199.03
    NMP 309.04
    cyclohexane 10.24
    DMSO 646.62
    n-butyl acetate 44.4
    n-octanol 63.3
    chloroform 134.22
    n-propyl acetate 44.07
    acetic acid 195.52
    dichloromethane 114.47
    cyclohexanone 125.27
    propylene glycol 189.82
    isopropyl acetate 43.39
    DMAc 463.54
    2-ethoxyethanol 123.21
    isopentanol 75.87
    n-heptane 11.52
    ethyl formate 71.9
    1,2-dichloroethane 54.21
    n-hexanol 96.97
    2-methoxyethanol 276.29
    isobutyl acetate 31.1
    tetrachloromethane 16.26
    n-pentyl acetate 34.65
    transcutol 243.3
    n-heptanol 45.57
    ethylbenzene 21.69
    MIBK 57.9
    2-propoxyethanol 170.49
    tert-butanol 139.77
    MTBE 65.46
    2-butoxyethanol 79.18
    propionic acid 146.02
    o-xylene 26.07
    formic acid 101.83
    diethyl ether 80.05
    m-xylene 24.4
    p-xylene 26.82
    chlorobenzene 33.22
    dimethyl carbonate 70.74
    n-octane 5.02
    formamide 122.11
    cyclopentanone 172.9
    2-pentanone 95.61
    anisole 72.9
    cyclopentyl methyl ether 79.36
    gamma-butyrolactone 174.02
    1-methoxy-2-propanol 203.77
    pyridine 86.74
    3-pentanone 77.22
    furfural 165.87
    n-dodecane 6.85
    diethylene glycol 184.8
    diisopropyl ether 21.71
    tert-amyl alcohol 96.11
    acetylacetone 110.22
    n-hexadecane 7.23
    acetophenone 65.58
    methyl propionate 109.29
    isopentyl acetate 40.75
    trichloroethylene 102.92
    n-nonanol 54.75
    cyclohexanol 71.21
    benzyl alcohol 64.07
    2-ethylhexanol 48.07
    isooctanol 35.34
    dipropyl ether 59.02
    1,2-dichlorobenzene 37.5
    ethyl lactate 61.02
    propylene carbonate 102.03
    n-methylformamide 214.5
    2-pentanol 66.88
    n-pentane 9.52
    1-propoxy-2-propanol 108.79
    1-methoxy-2-propyl acetate 73.94
    2-(2-methoxypropoxy) propanol 106.32
    mesitylene 17.42
    ε-caprolactone 95.86
    p-cymene 21.14
    epichlorohydrin 126.77
    1,1,1-trichloroethane 54.65
    2-aminoethanol 218.42
    morpholine-4-carbaldehyde 275.13
    sulfolane 259.97
    2,2,4-trimethylpentane 5.84
    2-methyltetrahydrofuran 101.99
    n-hexyl acetate 65.07
    isooctane 4.41
    2-(2-butoxyethoxy)ethanol 121.89
    sec-butyl acetate 30.89
    tert-butyl acetate 50.2
    decalin 8.36
    glycerin 217.37
    diglyme 187.19
    acrylic acid 144.88
    isopropyl myristate 35.13
    n-butyric acid 111.9
    acetyl acetate 57.21
    di(2-ethylhexyl) phthalate 45.56
    ethyl propionate 55.81
    nitromethane 245.68
    1,2-diethoxyethane 63.49
    benzonitrile 62.6
    trioctyl phosphate 34.68
    1-bromopropane 41.27
    gamma-valerolactone 194.13
    n-decanol 44.64
    triethyl phosphate 36.76
    4-methyl-2-pentanol 38.38
    propionitrile 92.54
    vinylene carbonate 101.76
    1,1,2-trichlorotrifluoroethane 145.56
    DMS 69.5
    cumene 21.11
    2-octanol 32.0
    2-hexanone 57.17
    octyl acetate 47.33
    limonene 29.58
    1,2-dimethoxyethane 195.57
    ethyl orthosilicate 33.84
    tributyl phosphate 37.54
    diacetone alcohol 93.75
    N,N-dimethylaniline 63.64
    acrylonitrile 129.05
    aniline 54.25
    1,3-propanediol 162.14
    bromobenzene 27.81
    dibromomethane 67.59
    1,1,2,2-tetrachloroethane 94.43
    2-methyl-cyclohexyl acetate 48.72
    tetrabutyl urea 57.38
    diisobutyl methanol 29.96
    2-phenylethanol 60.8
    styrene 25.98
    dioctyl adipate 53.68
    dimethyl sulfate 130.84
    ethyl butyrate 50.54
    methyl lactate 106.27
    butyl lactate 48.91
    diethyl carbonate 43.36
    propanediol butyl ether 102.24
    triethyl orthoformate 40.0
    p-tert-butyltoluene 20.39
    methyl 4-tert-butylbenzoate 81.76
    morpholine 163.47
    tert-butylamine 79.11
    n-dodecanol 37.02
    dimethoxymethane 212.04
    ethylene carbonate 75.51
    cyrene 103.15
    2-ethoxyethyl acetate 54.25
    2-ethylhexyl acetate 32.0
    1,2,4-trichlorobenzene 47.45
    4-methylpyridine 78.43
    dibutyl ether 46.5
    2,6-dimethyl-4-heptanol 29.96
    DEF 139.32
    dimethyl isosorbide 133.94
    tetrachloroethylene 53.28
    eugenol 86.16
    triacetin 81.8
    span 80 95.59
    1,4-butanediol 88.28
    1,1-dichloroethane 62.07
    2-methyl-1-pentanol 64.79
    methyl formate 153.94
    2-methyl-1-butanol 79.6
    n-decane 9.26
    butyronitrile 84.94
    3,7-dimethyl-1-octanol 50.31
    1-chlorooctane 30.08
    1-chlorotetradecane 16.85
    n-nonane 8.69
    undecane 7.75
    tert-butylcyclohexane 8.92
    cyclooctane 3.84
    cyclopentanol 99.9
    tetrahydropyran 105.19
    tert-amyl methyl ether 55.03
    2,5,8-trioxanonane 169.52
    1-hexene 33.83
    2-isopropoxyethanol 82.67
    2,2,2-trifluoroethanol 73.34
    methyl butyrate 67.72

    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