3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-imidazolidine-2,4-dione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1119831-25-2

    Molecular formula
    C19H19N5O4

    SMILES
    CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC(=CC=C4)O

  • Odor profile

    Fragrance
    Odorless 67.79%
    Roasted 27.83%
    Savory 24.06%
    Cooked 23.97%
    Burnt 22.58%
    Meaty 21.33%
    Nutty 20.38%
    Bitter 20.01%
    Popcorn 18.62%
    Milky 17.57%

     

    Flavor
    Bitter 91.86%
    Odorless 30.78%
    Bland 23.19%
    Cedarleaf 19.52%
    Sweet-like 19.2%
    Nitrile 18.54%
    Bread crust 18.47%
    Cereal 18.33%
    Very strong 18.15%
    Roasted peanuts 18.04%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.25 (weak acid)

    Molecular weight
    381.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1353°C

    Flash point

    • 272.23 ˚C est.

    Solubility expt.

    • Practically insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Fema No. 4725
    • 1119831-25-2
    • 1P43YY1KO2
    • s6821
    • UNII-1P43YY1KO2
    • 3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-imidazolidine-2,4-dione
    • DTXSID401020013
    • 2,4-Imidazolidinedione, 3-(1-((3,5-dimethyl-4-isoxazolyl)-methyl)-1H-pyrazol-4-yl)-1-((3-hydroxyphenyl)methyl)-
    • 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)imidazolidine-2,4-dione
    • 3-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl}-1-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione
    • SCHEMBL1279156
    • CHEMBL3924866
    • GTPL12429
    • LLJBKECMPVCSDS-UHFFFAOYSA-N
    • BDBM211262
    • DTXCID501477863
    • 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione
    • BS177682
    • HY-139899
    • NS00123203
    • EN300-37109066
    • US9247759, 10-10
    • 808-282-4

  • Applications

    3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-imidazolidine-2,4-dione (CAS 1119831-25-2) is primarily used as a pharmaceutical intermediate and building block for heterocyclic compounds, supporting medicinal-chemistry library synthesis and structure-activity relationship exploration; it may serve in early-stage pharmaceutical manufacturing and process development as a precursor to more advanced active compounds, and it can be evaluated as a multifunctional scaffold in materials science for specialty polymers and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.76
    methanol 2.8
    isopropanol 1.38
    water 0.02
    ethyl acetate 3.37
    n-propanol 1.63
    acetone 12.73
    n-butanol 1.15
    acetonitrile 8.67
    DMF 62.22
    toluene 1.45
    isobutanol 1.25
    1,4-dioxane 15.65
    methyl acetate 9.55
    THF 39.59
    2-butanone 16.83
    n-pentanol 1.28
    sec-butanol 1.56
    n-hexane 0.01
    ethylene glycol 1.3
    NMP 36.44
    cyclohexane 0.03
    DMSO 58.1
    n-butyl acetate 2.34
    n-octanol 0.71
    chloroform 35.59
    n-propyl acetate 2.82
    acetic acid 12.17
    dichloromethane 35.38
    cyclohexanone 22.18
    propylene glycol 1.79
    isopropyl acetate 1.79
    DMAc 146.33
    2-ethoxyethanol 12.65
    isopentanol 1.39
    n-heptane 0.01
    ethyl formate 5.61
    1,2-dichloroethane 11.53
    n-hexanol 0.62
    2-methoxyethanol 21.23
    isobutyl acetate 1.86
    tetrachloromethane 0.7
    n-pentyl acetate 2.02
    transcutol 17.98
    n-heptanol 0.77
    ethylbenzene 0.56
    MIBK 2.45
    2-propoxyethanol 11.14
    tert-butanol 1.41
    MTBE 0.91
    2-butoxyethanol 6.53
    propionic acid 4.46
    o-xylene 0.71
    formic acid 10.8
    diethyl ether 0.7
    m-xylene 0.48
    p-xylene 1.35
    chlorobenzene 4.08
    dimethyl carbonate 6.55
    n-octane 0.01
    formamide 22.08
    cyclopentanone 32.56
    2-pentanone 4.55
    anisole 3.81
    cyclopentyl methyl ether 2.52
    gamma-butyrolactone 31.84
    1-methoxy-2-propanol 10.54
    pyridine 28.72
    3-pentanone 4.47
    furfural 39.47
    n-dodecane 0.02
    diethylene glycol 10.2
    diisopropyl ether 0.14
    tert-amyl alcohol 1.79
    acetylacetone 9.49
    n-hexadecane 0.03
    acetophenone 7.23
    methyl propionate 6.09
    isopentyl acetate 2.8
    trichloroethylene 50.06
    n-nonanol 0.89
    cyclohexanol 1.66
    benzyl alcohol 6.3
    2-ethylhexanol 0.56
    isooctanol 0.78
    dipropyl ether 0.59
    1,2-dichlorobenzene 4.12
    ethyl lactate 3.68
    propylene carbonate 9.03
    n-methylformamide 18.75
    2-pentanol 0.52
    n-pentane 0.01
    1-propoxy-2-propanol 5.15
    1-methoxy-2-propyl acetate 5.48
    2-(2-methoxypropoxy) propanol 9.06
    mesitylene 0.22
    ε-caprolactone 14.63
    p-cymene 0.42
    epichlorohydrin 55.63
    1,1,1-trichloroethane 5.22
    2-aminoethanol 2.6
    morpholine-4-carbaldehyde 42.14
    sulfolane 36.92
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 8.34
    n-hexyl acetate 2.37
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.66
    sec-butyl acetate 1.67
    tert-butyl acetate 1.72
    decalin 0.03
    glycerin 5.63
    diglyme 21.93
    acrylic acid 6.79
    isopropyl myristate 1.04
    n-butyric acid 4.62
    acetyl acetate 3.02
    di(2-ethylhexyl) phthalate 2.62
    ethyl propionate 2.79
    nitromethane 48.85
    1,2-diethoxyethane 3.74
    benzonitrile 8.91
    trioctyl phosphate 1.21
    1-bromopropane 1.93
    gamma-valerolactone 64.96
    n-decanol 0.64
    triethyl phosphate 2.33
    4-methyl-2-pentanol 0.45
    propionitrile 6.03
    vinylene carbonate 12.26
    1,1,2-trichlorotrifluoroethane 38.63
    DMS 4.54
    cumene 0.36
    2-octanol 0.49
    2-hexanone 5.3
    octyl acetate 1.68
    limonene 0.44
    1,2-dimethoxyethane 25.34
    ethyl orthosilicate 1.96
    tributyl phosphate 1.76
    diacetone alcohol 5.63
    N,N-dimethylaniline 2.21
    acrylonitrile 13.73
    aniline 4.35
    1,3-propanediol 5.01
    bromobenzene 3.63
    dibromomethane 10.4
    1,1,2,2-tetrachloroethane 29.12
    2-methyl-cyclohexyl acetate 2.83
    tetrabutyl urea 3.74
    diisobutyl methanol 0.36
    2-phenylethanol 4.12
    styrene 0.94
    dioctyl adipate 2.75
    dimethyl sulfate 15.69
    ethyl butyrate 2.21
    methyl lactate 7.04
    butyl lactate 3.15
    diethyl carbonate 2.19
    propanediol butyl ether 4.2
    triethyl orthoformate 2.42
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 4.96
    morpholine 19.65
    tert-butylamine 0.34
    n-dodecanol 0.46
    dimethoxymethane 17.31
    ethylene carbonate 8.62
    cyrene 13.22
    2-ethoxyethyl acetate 4.68
    2-ethylhexyl acetate 1.99
    1,2,4-trichlorobenzene 7.52
    4-methylpyridine 16.42
    dibutyl ether 0.87
    2,6-dimethyl-4-heptanol 0.36
    DEF 9.97
    dimethyl isosorbide 14.26
    tetrachloroethylene 11.9
    eugenol 7.44
    triacetin 5.18
    span 80 4.63
    1,4-butanediol 2.68
    1,1-dichloroethane 7.43
    2-methyl-1-pentanol 1.56
    methyl formate 15.5
    2-methyl-1-butanol 1.41
    n-decane 0.04
    butyronitrile 3.92
    3,7-dimethyl-1-octanol 0.84
    1-chlorooctane 0.3
    1-chlorotetradecane 0.14
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 3.08
    tetrahydropyran 5.53
    tert-amyl methyl ether 0.98
    2,5,8-trioxanonane 16.14
    1-hexene 0.12
    2-isopropoxyethanol 6.73
    2,2,2-trifluoroethanol 6.98
    methyl butyrate 5.02

    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