Phenylbutazone

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  • Identifiers

    CAS number
    50-33-9

    Molecular formula
    C19H20N2O2

    SMILES
    CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 35.72%
    Herbal 32.29%
    Green 28.74%
    Odorless 28.12%
    Spicy 26.41%
    Floral 24.72%
    Animal 23.12%
    Fresh 22.88%
    Citrus 22.28%
    Bitter 21.96%

     

    Flavor
    Bitter 76.03%
    Cedarleaf 20.07%
    Herbal 20.01%
    Lovage 19.22%
    Nitrile 18.96%
    Odorless 18.65%
    Heather 18.28%
    Broom 18.04%
    Butyric 17.97%
    Green pepper 17.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    5.99 (weak acid)

    Molecular weight
    308.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    464°C

    Melting point expt.

    • 219 to 225 °F (NTP, 1992)
    • 105 °C
    • MP: 140-141 °C (solidifies and remelts at approximately 180 °C) /Phenylbutazone piperazine salt/

    Flash point

    • 190.85 ˚C est.

    Solubility expt.

    • >46.3 [ug/mL] (The mean of the results at pH 7.4)
    • less than 1 mg/mL at 74.3 °F (NTP, 1992)
    • 47.5 mg/L (at 30 °C)
    • Freely soluble in acetone, ether, and ethyl acetate
    • 1 G IN ABOUT 20 ML ALCOHOL
    • Solubility in water at 22.5 °C: 0.7 mg/mL (also 2.2 mg/mL)
    • In water, 34 mg/L at 25 °C
    • 1.44e-01 g/L

  • Synonyms

    • phenylbutazone
    • 50-33-9
    • 4-Butyl-1,2-diphenylpyrazolidine-3,5-dione
    • Butapirazol
    • Butazolidin
    • Fenilbutazona
    • Butadion
    • Diphenylbutazone
    • Butazolidine
    • Fenibutazona
    • Fenylbutazon
    • Intrabutazone
    • Artrizin
    • Butacote
    • Butadiona
    • Diphebuzol
    • Ecobutazone
    • Fenibutol
    • Intrazone
    • Phebuzine
    • Azolid
    • Butoz
    • Buzon
    • Phenylbutazonum
    • Butapyrazole
    • Equipalazone
    • Flexazone
    • Bute
    • Alkabutazona
    • Butapirazole
    • Chembutazone
    • Mephabutazon
    • Mephabutazone
    • Praecirheumin
    • Scanbutazone
    • Alqoverin
    • Anpuzone
    • Anuspiramin
    • Arthrizon
    • Artrizone
    • Artropan
    • Azobutyl
    • Bunetzone
    • Butacompren
    • Butagesic
    • Butalgina
    • Butalidon
    • Butarecbon
    • Butartril
    • Butartrina
    • Butazina
    • Butazona
    • Butidiona
    • Butylpyrin
    • Buvetzone
    • Digibutina
    • Diossidone
    • Eributazone
    • Febuzina
    • Fenartil
    • Fenibutal
    • Fenibutasan
    • Fenilbutina
    • Fenilbutine
    • Fenilidina
    • Fenotone
    • Intalbut
    • Ipsoflame
    • Malgesic
    • Merizone
    • Nadazone
    • Nadozone
    • Novophenyl
    • Phebuzin
    • Phenbutazol
    • Phenopyrine
    • Phenylbutaz
    • Phenyzone
    • Pyrabutol
    • Pyrazolidin
    • Rectofasa
    • Reumasyl
    • Reumazin
    • Reumazol
    • Reumuzol
    • Reupolar
    • Robizone
    • Rubatone
    • Zolaphen
    • Alindor
    • Anerval
    • Antadol
    • Benzone
    • Betazed
    • Bizolin
    • Busone
    • Butaluy
    • Butone
    • Diozol
    • Elmedal
    • Lingel
    • Reudox
    • Reumune
    • Kadol
    • Reudo
    • Uzone
    • Butiwas-Simple
    • Neo-zoline
    • Phenyl-Mobuzon
    • Equi bute
    • Exrheudon N
    • Robizone-V
    • 4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
    • Robizon-V
    • Phenylbutazon
    • Butaphen
    • Shigrodin
    • Tevcodyne
    • Azdid
    • Ia-But
    • Pirarreumol B
    • Buta phen
    • 4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine
    • Bizolin 200
    • Phenbutazone
    • Schemergin
    • Butatron
    • Wescozone

  • Applications

    Phenylbutazone (CAS 50-33-9) is used in pharmaceuticals as an NSAID in human and veterinary medicine; it also serves as a research tool in pharmacology and as a reference material for analytical methods; in chemical synthesis, it may be an intermediate for related pyrazolidinedione NSAIDs; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.83
    methanol 68.82
    isopropanol 33.84
    water 0.13
    ethyl acetate 352.92
    n-propanol 55.4
    acetone 569.41
    n-butanol 48.87
    acetonitrile 418.67
    DMF 954.81
    toluene 187.12
    isobutanol 40.87
    1,4-dioxane 287.65
    methyl acetate 364.29
    THF 577.23
    2-butanone 457.23
    n-pentanol 36.06
    sec-butanol 39.88
    n-hexane 1.72
    ethylene glycol 15.91
    NMP 1103.27
    cyclohexane 8.61
    DMSO 313.43
    n-butyl acetate 135.25
    n-octanol 13.19
    chloroform 1186.84
    n-propyl acetate 138.6
    acetic acid 213.43
    dichloromethane 1501.86
    cyclohexanone 723.66
    propylene glycol 22.12
    isopropyl acetate 174.11
    DMAc 957.4
    2-ethoxyethanol 90.23
    isopentanol 54.02
    n-heptane 1.27
    ethyl formate 231.81
    1,2-dichloroethane 1084.3
    n-hexanol 35.07
    2-methoxyethanol 189.59
    isobutyl acetate 84.43
    tetrachloromethane 48.82
    n-pentyl acetate 80.66
    transcutol 163.32
    n-heptanol 20.96
    ethylbenzene 58.62
    MIBK 146.22
    2-propoxyethanol 113.88
    tert-butanol 34.04
    MTBE 49.64
    2-butoxyethanol 70.54
    propionic acid 157.71
    o-xylene 75.45
    formic acid 66.15
    diethyl ether 85.65
    m-xylene 68.69
    p-xylene 89.23
    chlorobenzene 534.47
    dimethyl carbonate 236.33
    n-octane 0.83
    formamide 180.19
    cyclopentanone 1001.9
    2-pentanone 312.52
    anisole 146.45
    cyclopentyl methyl ether 184.95
    gamma-butyrolactone 1049.6
    1-methoxy-2-propanol 125.1
    pyridine 853.2
    3-pentanone 285.81
    furfural 821.88
    n-dodecane 1.17
    diethylene glycol 82.53
    diisopropyl ether 17.43
    tert-amyl alcohol 35.06
    acetylacetone 469.92
    n-hexadecane 1.43
    acetophenone 224.8
    methyl propionate 352.18
    isopentyl acetate 121.51
    trichloroethylene 2244.98
    n-nonanol 14.61
    cyclohexanol 85.42
    benzyl alcohol 137.17
    2-ethylhexanol 28.37
    isooctanol 19.28
    dipropyl ether 28.79
    1,2-dichlorobenzene 417.0
    ethyl lactate 73.27
    propylene carbonate 510.57
    n-methylformamide 326.99
    2-pentanol 30.33
    n-pentane 1.73
    1-propoxy-2-propanol 67.39
    1-methoxy-2-propyl acetate 151.72
    2-(2-methoxypropoxy) propanol 71.74
    mesitylene 31.66
    ε-caprolactone 515.81
    p-cymene 25.84
    epichlorohydrin 1274.2
    1,1,1-trichloroethane 505.47
    2-aminoethanol 36.34
    morpholine-4-carbaldehyde 567.07
    sulfolane 796.79
    2,2,4-trimethylpentane 2.19
    2-methyltetrahydrofuran 340.13
    n-hexyl acetate 83.42
    isooctane 1.23
    2-(2-butoxyethoxy)ethanol 81.55
    sec-butyl acetate 92.52
    tert-butyl acetate 121.08
    decalin 5.59
    glycerin 42.7
    diglyme 194.32
    acrylic acid 197.51
    isopropyl myristate 30.92
    n-butyric acid 221.1
    acetyl acetate 247.86
    di(2-ethylhexyl) phthalate 49.38
    ethyl propionate 149.07
    nitromethane 692.0
    1,2-diethoxyethane 76.66
    benzonitrile 292.38
    trioctyl phosphate 26.76
    1-bromopropane 238.84
    gamma-valerolactone 1011.6
    n-decanol 11.43
    triethyl phosphate 55.28
    4-methyl-2-pentanol 23.62
    propionitrile 215.87
    vinylene carbonate 487.0
    1,1,2-trichlorotrifluoroethane 462.13
    DMS 171.13
    cumene 31.61
    2-octanol 12.67
    2-hexanone 148.57
    octyl acetate 42.35
    limonene 35.08
    1,2-dimethoxyethane 210.36
    ethyl orthosilicate 43.16
    tributyl phosphate 37.29
    diacetone alcohol 130.1
    N,N-dimethylaniline 74.68
    acrylonitrile 414.11
    aniline 223.17
    1,3-propanediol 62.92
    bromobenzene 551.66
    dibromomethane 743.88
    1,1,2,2-tetrachloroethane 1251.29
    2-methyl-cyclohexyl acetate 83.29
    tetrabutyl urea 54.96
    diisobutyl methanol 16.22
    2-phenylethanol 104.88
    styrene 100.25
    dioctyl adipate 61.32
    dimethyl sulfate 348.75
    ethyl butyrate 98.29
    methyl lactate 147.25
    butyl lactate 64.43
    diethyl carbonate 81.66
    propanediol butyl ether 41.06
    triethyl orthoformate 56.33
    p-tert-butyltoluene 20.8
    methyl 4-tert-butylbenzoate 98.3
    morpholine 340.81
    tert-butylamine 16.7
    n-dodecanol 9.37
    dimethoxymethane 335.58
    ethylene carbonate 371.35
    cyrene 134.48
    2-ethoxyethyl acetate 130.74
    2-ethylhexyl acetate 92.36
    1,2,4-trichlorobenzene 487.44
    4-methylpyridine 671.26
    dibutyl ether 23.15
    2,6-dimethyl-4-heptanol 16.22
    DEF 402.22
    dimethyl isosorbide 176.06
    tetrachloroethylene 634.86
    eugenol 99.81
    triacetin 106.64
    span 80 55.67
    1,4-butanediol 22.84
    1,1-dichloroethane 671.77
    2-methyl-1-pentanol 45.93
    methyl formate 309.64
    2-methyl-1-butanol 50.59
    n-decane 1.51
    butyronitrile 180.34
    3,7-dimethyl-1-octanol 19.49
    1-chlorooctane 13.77
    1-chlorotetradecane 6.85
    n-nonane 1.13
    undecane 1.29
    tert-butylcyclohexane 3.26
    cyclooctane 1.79
    cyclopentanol 123.31
    tetrahydropyran 261.09
    tert-amyl methyl ether 46.63
    2,5,8-trioxanonane 126.56
    1-hexene 16.4
    2-isopropoxyethanol 61.82
    2,2,2-trifluoroethanol 110.15
    methyl butyrate 216.74

    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