1-Phenyl-5-propyl-pyrazole

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  • Identifiers

    CAS number
    91565-82-1

    Molecular formula
    C12H14N2

    SMILES
    CCCC1=CC=NN1C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Roasted 55.69%
    Earthy 43.78%
    Nutty 40.73%
    Animal 40.48%
    Burnt 40.33%
    Fruity 34.17%
    Musty 31.74%
    Hazelnut 30.59%
    Coffee 28.63%
    Potato 26.88%

     

    Flavor
    Green 60.39%
    Earthy 41.99%
    Herbal 34.95%
    Nutty 34.22%
    Vegetable 33.83%
    Musty 33.4%
    Roasted 33.3%
    Pepper 32.99%
    Fruity 28.28%
    Coffee 25.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    5.11 (weak acid)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    297°C

    Flash point

    • 128.89 ˚C est.

  • Synonyms

    • 1-Phenyl-5-propyl-1H-pyrazole
    • 1-phenyl-5-propylpyrazole
    • 1-Phenyl-5-propyl-pyrazole
    • 91565-82-1
    • Pyrazole, 1-phenyl-5-propyl-
    • FEMA No. 3727, 5-propyl-
    • 1H-Pyrazole, 1-phenyl-5-propyl-
    • A4I0P21KNV
    • DTXSID70238631
    • RefChem:435659
    • DTXCID20161122
    • UNII-A4I0P21KNV
    • SCHEMBL1086390
    • SCHEMBL4859521
    • CHEBI:186973
    • VICXKFLOMKMGEH-UHFFFAOYSA-N
    • Q27273621
    • 91565-82-1

  • Applications

    1-Phenyl-5-propyl-pyrazole can serve as a synthetic building block and an intermediate in organic synthesis, particularly for creating heterocyclic pyrazole-containing compounds. In practical contexts, it is commonly evaluated as a scaffold for library development in pharmaceutical research and for exploration in agrochemical development. It may also be used as a precursor in materials science, including polymers and advanced materials, and can be considered for specialty applications in coatings or inks where pyrazole derivatives are of interest. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 372.9
    methanol 330.83
    isopropanol 243.24
    water 0.32
    ethyl acetate 581.46
    n-propanol 316.92
    acetone 1095.43
    n-butanol 347.67
    acetonitrile 483.38
    DMF 1264.55
    toluene 476.1
    isobutanol 279.35
    1,4-dioxane 961.78
    methyl acetate 498.15
    THF 1429.87
    2-butanone 682.81
    n-pentanol 293.92
    sec-butanol 257.1
    n-hexane 109.35
    ethylene glycol 92.46
    NMP 1026.94
    cyclohexane 232.4
    DMSO 1090.35
    n-butyl acetate 606.56
    n-octanol 223.22
    chloroform 2745.99
    n-propyl acetate 370.74
    acetic acid 402.52
    dichloromethane 2981.14
    cyclohexanone 1249.67
    propylene glycol 128.93
    isopropyl acetate 342.07
    DMAc 841.93
    2-ethoxyethanol 326.45
    isopentanol 321.32
    n-heptane 81.2
    ethyl formate 449.08
    1,2-dichloroethane 1777.62
    n-hexanol 384.39
    2-methoxyethanol 487.57
    isobutyl acetate 295.57
    tetrachloromethane 344.51
    n-pentyl acetate 304.67
    transcutol 1329.15
    n-heptanol 164.47
    ethylbenzene 276.11
    MIBK 340.99
    2-propoxyethanol 482.0
    tert-butanol 264.28
    MTBE 344.03
    2-butoxyethanol 251.56
    propionic acid 313.02
    o-xylene 245.11
    formic acid 91.53
    diethyl ether 519.32
    m-xylene 273.25
    p-xylene 343.14
    chlorobenzene 908.45
    dimethyl carbonate 327.88
    n-octane 42.86
    formamide 162.88
    cyclopentanone 1376.28
    2-pentanone 596.97
    anisole 473.24
    cyclopentyl methyl ether 623.41
    gamma-butyrolactone 1324.34
    1-methoxy-2-propanol 376.55
    pyridine 1163.54
    3-pentanone 496.75
    furfural 1023.89
    n-dodecane 43.75
    diethylene glycol 321.44
    diisopropyl ether 160.81
    tert-amyl alcohol 255.45
    acetylacetone 700.49
    n-hexadecane 50.21
    acetophenone 461.12
    methyl propionate 479.19
    isopentyl acetate 483.66
    trichloroethylene 3012.85
    n-nonanol 192.75
    cyclohexanol 413.13
    benzyl alcohol 366.15
    2-ethylhexanol 250.58
    isooctanol 139.98
    dipropyl ether 348.05
    1,2-dichlorobenzene 734.63
    ethyl lactate 175.24
    propylene carbonate 796.27
    n-methylformamide 392.36
    2-pentanol 217.36
    n-pentane 81.7
    1-propoxy-2-propanol 337.87
    1-methoxy-2-propyl acetate 420.2
    2-(2-methoxypropoxy) propanol 321.19
    mesitylene 175.09
    ε-caprolactone 776.34
    p-cymene 164.11
    epichlorohydrin 1523.9
    1,1,1-trichloroethane 1192.89
    2-aminoethanol 168.64
    morpholine-4-carbaldehyde 764.96
    sulfolane 1313.01
    2,2,4-trimethylpentane 50.22
    2-methyltetrahydrofuran 853.92
    n-hexyl acetate 473.03
    isooctane 39.53
    2-(2-butoxyethoxy)ethanol 426.85
    sec-butyl acetate 246.58
    tert-butyl acetate 320.63
    decalin 110.72
    glycerin 166.41
    diglyme 773.11
    acrylic acid 320.05
    isopropyl myristate 207.48
    n-butyric acid 474.28
    acetyl acetate 406.93
    di(2-ethylhexyl) phthalate 196.43
    ethyl propionate 321.16
    nitromethane 715.55
    1,2-diethoxyethane 542.98
    benzonitrile 606.71
    trioctyl phosphate 136.31
    1-bromopropane 838.03
    gamma-valerolactone 1115.71
    n-decanol 156.68
    triethyl phosphate 175.21
    4-methyl-2-pentanol 144.97
    propionitrile 406.32
    vinylene carbonate 728.66
    1,1,2-trichlorotrifluoroethane 722.39
    DMS 418.72
    cumene 178.27
    2-octanol 130.2
    2-hexanone 445.38
    octyl acetate 261.08
    limonene 241.41
    1,2-dimethoxyethane 741.7
    ethyl orthosilicate 162.66
    tributyl phosphate 182.15
    diacetone alcohol 314.5
    N,N-dimethylaniline 299.83
    acrylonitrile 501.98
    aniline 466.71
    1,3-propanediol 243.1
    bromobenzene 1139.83
    dibromomethane 1856.17
    1,1,2,2-tetrachloroethane 2089.95
    2-methyl-cyclohexyl acetate 302.92
    tetrabutyl urea 246.87
    diisobutyl methanol 146.5
    2-phenylethanol 358.81
    styrene 445.59
    dioctyl adipate 286.6
    dimethyl sulfate 451.9
    ethyl butyrate 383.29
    methyl lactate 210.07
    butyl lactate 222.16
    diethyl carbonate 281.55
    propanediol butyl ether 275.92
    triethyl orthoformate 235.53
    p-tert-butyltoluene 146.87
    methyl 4-tert-butylbenzoate 296.75
    morpholine 856.58
    tert-butylamine 203.9
    n-dodecanol 132.18
    dimethoxymethane 719.86
    ethylene carbonate 608.05
    cyrene 308.14
    2-ethoxyethyl acetate 392.96
    2-ethylhexyl acetate 389.34
    1,2,4-trichlorobenzene 807.73
    4-methylpyridine 1007.09
    dibutyl ether 374.67
    2,6-dimethyl-4-heptanol 146.5
    DEF 620.21
    dimethyl isosorbide 517.05
    tetrachloroethylene 1301.22
    eugenol 299.71
    triacetin 353.9
    span 80 281.03
    1,4-butanediol 146.67
    1,1-dichloroethane 1324.87
    2-methyl-1-pentanol 295.17
    methyl formate 425.64
    2-methyl-1-butanol 305.28
    n-decane 64.8
    butyronitrile 513.19
    3,7-dimethyl-1-octanol 214.16
    1-chlorooctane 247.15
    1-chlorotetradecane 116.85
    n-nonane 64.34
    undecane 51.69
    tert-butylcyclohexane 81.93
    cyclooctane 72.16
    cyclopentanol 413.21
    tetrahydropyran 1000.83
    tert-amyl methyl ether 253.61
    2,5,8-trioxanonane 549.98
    1-hexene 320.23
    2-isopropoxyethanol 242.73
    2,2,2-trifluoroethanol 157.58
    methyl butyrate 475.31

    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