Oxathiapiprolin

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  • Identifiers

    CAS number
    1003318-67-9

    Molecular formula
    C24H22F5N5O2S

    SMILES
    CC1=CC(=NN1CC(=O)N2CCC(CC2)C3=NC(=CS3)C4=NOC(C4)C5=C(C=CC=C5F)F)C(F)(F)F

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 62.19%
    Roasted 33.23%
    Meaty 31.22%
    Savory 28.85%
    Cooked 27.64%
    Nutty 24.41%
    Popcorn 21.64%
    Burnt 19.46%
    Cooling 19.3%
    Animal 18.93%

     

    Flavor
    Bitter 82.56%
    Odorless 32.67%
    Roasted 25.25%
    Bland 24.03%
    Sweet-like 19.75%
    Scallion 19.18%
    Cereal 19.04%
    Cedarleaf 18.89%
    Bread crust 18.87%
    Nitrile 18.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    5.29 (weak acid)

    Molecular weight
    539.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1100°C

    Flash point

    • 228.17 ˚C est.

  • Synonyms

    • Oxathiapiprolin
    • 1003318-67-9
    • DPX-QGU42
    • 56498AIV8R
    • DTXSID30893604
    • 1-(4-(4-((5RS)-5-(2,6-Difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl)-1-piperidyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone
    • Ethanone, 1-(4-(4-(5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl)-2-thiazolyl)-1-piperidinyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-
    • 1-(4-(4-(5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl)-2-thiazolyl)-1-piperidinyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone
    • Ethanone, 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
    • RefChem:857074
    • CHEBI:83268
    • DTXCID001323631
    • 801-263-1
    • Zorvec
    • Oxathiapiprolin [ISO]
    • 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
    • 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
    • UNII-56498AIV8R
    • 1-[4-[4-[5-(2,6-Difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone; 1-[4-[4-[5-(2,6-Difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone; Oxathiapiprolin; Zorvec
    • SCHEMBL120216
    • C24H22F5N5O2S
    • CHEBI:83271
    • GLXC-15804
    • MSK21372
    • 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
    • FO159014
    • Oxathiapiprolin 100 ?g/mL in Acetonitrile
    • NS00066827
    • Q27156718
    • 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydroisoxazol-3-yl]thiazol-2-yl]-1-piperidyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
    • 1003318-67-9

  • Applications

    Oxathiapiprolin (CAS 1003318-67-9) is a systemic OSBP-inhibiting fungicide used in agriculture and horticulture to protect crops from oomycete diseases. It is commonly applied as foliar sprays or soil drenches to manage diseases such as Phytophthora and downy mildew on potatoes, tomatoes, and grapes, as well as other oomycete diseases on vegetables, fruits, and ornamentals, including those grown in greenhouses. The product targets Phytophthora and Pythium species and related oomycetes, and is used in both field and protected cultivation, typically in rotation or in combination with other fungicides within integrated disease-management programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.37
    methanol 4.44
    isopropanol 2.23
    water 0.0
    ethyl acetate 10.05
    n-propanol 3.54
    acetone 25.26
    n-butanol 3.58
    acetonitrile 7.87
    DMF 26.44
    toluene 6.23
    isobutanol 2.29
    1,4-dioxane 18.49
    methyl acetate 13.17
    THF 47.17
    2-butanone 32.64
    n-pentanol 2.53
    sec-butanol 3.1
    n-hexane 0.04
    ethylene glycol 0.6
    NMP 62.11
    cyclohexane 0.21
    DMSO 40.29
    n-butyl acetate 6.1
    n-octanol 1.5
    chloroform 29.81
    n-propyl acetate 6.57
    acetic acid 11.94
    dichloromethane 29.48
    cyclohexanone 66.57
    propylene glycol 1.09
    isopropyl acetate 5.56
    DMAc 64.85
    2-ethoxyethanol 8.29
    isopentanol 3.01
    n-heptane 0.06
    ethyl formate 10.87
    1,2-dichloroethane 14.35
    n-hexanol 1.73
    2-methoxyethanol 13.33
    isobutyl acetate 2.89
    tetrachloromethane 1.52
    n-pentyl acetate 6.02
    transcutol 15.62
    n-heptanol 1.59
    ethylbenzene 1.47
    MIBK 6.71
    2-propoxyethanol 9.18
    tert-butanol 1.99
    MTBE 2.74
    2-butoxyethanol 6.72
    propionic acid 5.59
    o-xylene 2.61
    formic acid 4.74
    diethyl ether 3.54
    m-xylene 1.84
    p-xylene 2.24
    chlorobenzene 6.92
    dimethyl carbonate 5.13
    n-octane 0.04
    formamide 8.27
    cyclopentanone 58.63
    2-pentanone 17.74
    anisole 4.7
    cyclopentyl methyl ether 6.43
    gamma-butyrolactone 40.79
    1-methoxy-2-propanol 7.73
    pyridine 32.88
    3-pentanone 14.21
    furfural 42.78
    n-dodecane 0.06
    diethylene glycol 5.2
    diisopropyl ether 0.5
    tert-amyl alcohol 2.86
    acetylacetone 22.62
    n-hexadecane 0.07
    acetophenone 9.71
    methyl propionate 9.72
    isopentyl acetate 4.71
    trichloroethylene 38.94
    n-nonanol 1.79
    cyclohexanol 4.49
    benzyl alcohol 6.54
    2-ethylhexanol 1.28
    isooctanol 1.24
    dipropyl ether 1.71
    1,2-dichlorobenzene 5.07
    ethyl lactate 4.07
    propylene carbonate 15.55
    n-methylformamide 12.38
    2-pentanol 1.59
    n-pentane 0.07
    1-propoxy-2-propanol 5.47
    1-methoxy-2-propyl acetate 8.07
    2-(2-methoxypropoxy) propanol 9.69
    mesitylene 0.67
    ε-caprolactone 38.95
    p-cymene 0.84
    epichlorohydrin 40.64
    1,1,1-trichloroethane 8.96
    2-aminoethanol 1.63
    morpholine-4-carbaldehyde 39.54
    sulfolane 51.99
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 18.29
    n-hexyl acetate 6.09
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 11.73
    sec-butyl acetate 3.81
    tert-butyl acetate 4.33
    decalin 0.08
    glycerin 2.48
    diglyme 20.61
    acrylic acid 5.93
    isopropyl myristate 2.49
    n-butyric acid 10.1
    acetyl acetate 7.73
    di(2-ethylhexyl) phthalate 4.29
    ethyl propionate 5.49
    nitromethane 30.7
    1,2-diethoxyethane 6.0
    benzonitrile 10.44
    trioctyl phosphate 2.25
    1-bromopropane 5.78
    gamma-valerolactone 94.91
    n-decanol 1.32
    triethyl phosphate 2.87
    4-methyl-2-pentanol 0.92
    propionitrile 7.19
    vinylene carbonate 16.42
    1,1,2-trichlorotrifluoroethane 27.16
    DMS 5.68
    cumene 0.69
    2-octanol 1.07
    2-hexanone 12.37
    octyl acetate 4.02
    limonene 1.35
    1,2-dimethoxyethane 18.75
    ethyl orthosilicate 2.24
    tributyl phosphate 2.93
    diacetone alcohol 8.24
    N,N-dimethylaniline 2.73
    acrylonitrile 11.42
    aniline 6.72
    1,3-propanediol 4.26
    bromobenzene 6.49
    dibromomethane 14.09
    1,1,2,2-tetrachloroethane 24.27
    2-methyl-cyclohexyl acetate 4.57
    tetrabutyl urea 6.75
    diisobutyl methanol 0.61
    2-phenylethanol 5.31
    styrene 2.04
    dioctyl adipate 5.94
    dimethyl sulfate 9.6
    ethyl butyrate 5.21
    methyl lactate 5.99
    butyl lactate 5.24
    diethyl carbonate 3.14
    propanediol butyl ether 4.56
    triethyl orthoformate 3.8
    p-tert-butyltoluene 0.65
    methyl 4-tert-butylbenzoate 6.55
    morpholine 22.03
    tert-butylamine 0.77
    n-dodecanol 0.95
    dimethoxymethane 13.31
    ethylene carbonate 12.87
    cyrene 12.85
    2-ethoxyethyl acetate 9.98
    2-ethylhexyl acetate 3.89
    1,2,4-trichlorobenzene 7.79
    4-methylpyridine 25.93
    dibutyl ether 2.09
    2,6-dimethyl-4-heptanol 0.61
    DEF 19.03
    dimethyl isosorbide 13.62
    tetrachloroethylene 12.24
    eugenol 7.83
    triacetin 8.05
    span 80 6.98
    1,4-butanediol 1.53
    1,1-dichloroethane 10.61
    2-methyl-1-pentanol 2.65
    methyl formate 10.82
    2-methyl-1-butanol 3.28
    n-decane 0.09
    butyronitrile 8.1
    3,7-dimethyl-1-octanol 1.34
    1-chlorooctane 0.81
    1-chlorotetradecane 0.36
    n-nonane 0.07
    undecane 0.07
    tert-butylcyclohexane 0.05
    cyclooctane 0.05
    cyclopentanol 5.24
    tetrahydropyran 16.14
    tert-amyl methyl ether 2.85
    2,5,8-trioxanonane 17.71
    1-hexene 0.47
    2-isopropoxyethanol 4.81
    2,2,2-trifluoroethanol 4.53
    methyl butyrate 9.7

    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