Penthiopyrad

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  • Identifiers

    CAS number
    183675-82-3

    Molecular formula
    C16H20F3N3OS

    SMILES
    CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 54.62%
    Cooling 35.17%
    Savory 33.56%
    Meaty 29.64%
    Roasted 27.03%
    Cooked 24.11%
    Mint 23.66%
    Milky 19.68%
    Animal 19.17%
    Fatty 18.0%

     

    Flavor
    Bitter 52.09%
    Odorless 31.36%
    Bland 27.1%
    Mild 21.96%
    Roasted 19.71%
    Green pepper 19.58%
    Cedarleaf 19.47%
    Syrup 19.4%
    Nitrile 19.03%
    Carrot 19.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.25 (neutral)

    Molecular weight
    359.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    394°C

    Flash point

    • 146.46 ˚C est.

  • Synonyms

    • Penthiopyrad
    • 183675-82-3
    • Vertisan
    • MTF-753
    • DPX-LEM 17
    • FAT7900E5H
    • DTXSID6058005
    • n-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxamide
    • N-(2-(1,3-DIMETHYLBUTYL)-3-THIENYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXAMIDE
    • RefChem:860059
    • DTXCID9031773
    • CHEBI:81777
    • MFCD11973641
    • Penthiopyrad [ISO]
    • 1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
    • CHEBI:83138
    • Penthiopyrad 100 microg/mL in Acetonitrile
    • Gaia
    • 1135441-67-6
    • Penthiopyrad?
    • C16H20F3N3OS
    • 1H-PYRAZOLE-4-CARBOXAMIDE, N-(2-(1,3-DIMETHYLBUTYL)-3-THIENYL)-1-METHYL-3-(TRIFLUOROMETHYL)-
    • 1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)-
    • Penthiopyrad (Standard)
    • PENTHIOPYRAD [MI]
    • UNII-FAT7900E5H
    • SCHEMBL18701
    • orb1706828
    • CHEMBL2251844
    • GLXC-10774
    • MSK21342
    • BDBM50079600
    • HY-17520R
    • AKOS015914702
    • CS-3306
    • N-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
    • 1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
    • AC-25642
    • DA-66571
    • HY-17520
    • MS-25662
    • NS00015073
    • C18482
    • Penthiopyrad, PESTANAL(R), analytical standard
    • 675P823
    • Penthiopyrad; CE10; PFFIDZXUXFLSSR-UHFFFAOYSA-N
    • Q14075651
    • 1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
    • (rs)-n-[2-(1,3-dimethylbutyl)-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
    • 1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
    • 183675-82-3

  • Applications

    Penthiopyrad (CAS 183675-82-3) is an SDHI fungicide used as the active ingredient in crop protection products to control fungal diseases in agriculture. It is commonly applied in professional programs for a range of crops, including cereals, grapevines, fruit trees, vegetables, and potatoes, and is formulated for use in field and greenhouse settings to protect yield and quality while conforming to local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 202.83
    methanol 170.8
    isopropanol 136.92
    water 0.02
    ethyl acetate 219.77
    n-propanol 157.96
    acetone 434.88
    n-butanol 146.1
    acetonitrile 174.43
    DMF 949.44
    toluene 107.11
    isobutanol 113.44
    1,4-dioxane 231.97
    methyl acetate 252.54
    THF 938.28
    2-butanone 426.82
    n-pentanol 96.88
    sec-butanol 137.98
    n-hexane 1.43
    ethylene glycol 21.27
    NMP 738.21
    cyclohexane 2.79
    DMSO 609.88
    n-butyl acetate 116.27
    n-octanol 15.54
    chloroform 462.46
    n-propyl acetate 134.41
    acetic acid 231.12
    dichloromethane 412.78
    cyclohexanone 377.17
    propylene glycol 52.86
    isopropyl acetate 136.69
    DMAc 924.15
    2-ethoxyethanol 228.71
    isopentanol 128.03
    n-heptane 0.99
    ethyl formate 141.82
    1,2-dichloroethane 291.79
    n-hexanol 68.77
    2-methoxyethanol 425.99
    isobutyl acetate 85.26
    tetrachloromethane 25.98
    n-pentyl acetate 76.2
    transcutol 290.0
    n-heptanol 28.94
    ethylbenzene 33.44
    MIBK 149.94
    2-propoxyethanol 234.23
    tert-butanol 137.2
    MTBE 127.66
    2-butoxyethanol 112.96
    propionic acid 108.55
    o-xylene 42.48
    formic acid 81.82
    diethyl ether 104.35
    m-xylene 51.7
    p-xylene 46.03
    chlorobenzene 118.22
    dimethyl carbonate 107.76
    n-octane 0.51
    formamide 186.32
    cyclopentanone 589.93
    2-pentanone 288.03
    anisole 123.9
    cyclopentyl methyl ether 176.04
    gamma-butyrolactone 522.0
    1-methoxy-2-propanol 295.07
    pyridine 402.68
    3-pentanone 174.49
    furfural 402.23
    n-dodecane 0.56
    diethylene glycol 141.31
    diisopropyl ether 19.13
    tert-amyl alcohol 143.21
    acetylacetone 302.49
    n-hexadecane 0.67
    acetophenone 146.59
    methyl propionate 216.52
    isopentyl acetate 113.35
    trichloroethylene 653.27
    n-nonanol 17.19
    cyclohexanol 89.92
    benzyl alcohol 133.67
    2-ethylhexanol 34.94
    isooctanol 25.88
    dipropyl ether 30.96
    1,2-dichlorobenzene 91.48
    ethyl lactate 76.13
    propylene carbonate 238.01
    n-methylformamide 323.11
    2-pentanol 75.08
    n-pentane 2.11
    1-propoxy-2-propanol 129.87
    1-methoxy-2-propyl acetate 169.16
    2-(2-methoxypropoxy) propanol 113.49
    mesitylene 20.44
    ε-caprolactone 312.28
    p-cymene 18.31
    epichlorohydrin 804.17
    1,1,1-trichloroethane 216.44
    2-aminoethanol 77.66
    morpholine-4-carbaldehyde 559.31
    sulfolane 531.6
    2,2,4-trimethylpentane 2.25
    2-methyltetrahydrofuran 444.67
    n-hexyl acetate 72.77
    isooctane 1.33
    2-(2-butoxyethoxy)ethanol 138.72
    sec-butyl acetate 98.46
    tert-butyl acetate 138.43
    decalin 2.08
    glycerin 71.07
    diglyme 239.95
    acrylic acid 99.62
    isopropyl myristate 26.17
    n-butyric acid 202.35
    acetyl acetate 121.05
    di(2-ethylhexyl) phthalate 46.46
    ethyl propionate 113.5
    nitromethane 472.58
    1,2-diethoxyethane 99.94
    benzonitrile 143.3
    trioctyl phosphate 25.93
    1-bromopropane 135.04
    gamma-valerolactone 776.92
    n-decanol 12.92
    triethyl phosphate 42.99
    4-methyl-2-pentanol 44.34
    propionitrile 143.04
    vinylene carbonate 192.05
    1,1,2-trichlorotrifluoroethane 364.56
    DMS 96.18
    cumene 19.91
    2-octanol 17.94
    2-hexanone 163.81
    octyl acetate 37.74
    limonene 25.91
    1,2-dimethoxyethane 328.49
    ethyl orthosilicate 38.96
    tributyl phosphate 32.39
    diacetone alcohol 207.77
    N,N-dimethylaniline 77.44
    acrylonitrile 197.06
    aniline 152.01
    1,3-propanediol 137.39
    bromobenzene 110.56
    dibromomethane 251.73
    1,1,2,2-tetrachloroethane 442.84
    2-methyl-cyclohexyl acetate 79.26
    tetrabutyl urea 50.29
    diisobutyl methanol 17.64
    2-phenylethanol 116.6
    styrene 45.09
    dioctyl adipate 50.45
    dimethyl sulfate 175.61
    ethyl butyrate 79.49
    methyl lactate 128.17
    butyl lactate 69.42
    diethyl carbonate 55.52
    propanediol butyl ether 80.92
    triethyl orthoformate 53.9
    p-tert-butyltoluene 17.01
    methyl 4-tert-butylbenzoate 95.52
    morpholine 452.46
    tert-butylamine 57.37
    n-dodecanol 9.42
    dimethoxymethane 383.43
    ethylene carbonate 150.5
    cyrene 171.08
    2-ethoxyethyl acetate 140.37
    2-ethylhexyl acetate 82.83
    1,2,4-trichlorobenzene 138.29
    4-methylpyridine 431.82
    dibutyl ether 17.58
    2,6-dimethyl-4-heptanol 17.64
    DEF 309.67
    dimethyl isosorbide 217.94
    tetrachloroethylene 201.51
    eugenol 107.24
    triacetin 94.46
    span 80 78.97
    1,4-butanediol 52.59
    1,1-dichloroethane 268.33
    2-methyl-1-pentanol 99.97
    methyl formate 205.43
    2-methyl-1-butanol 128.38
    n-decane 0.82
    butyronitrile 168.11
    3,7-dimethyl-1-octanol 26.72
    1-chlorooctane 7.96
    1-chlorotetradecane 3.51
    n-nonane 0.62
    undecane 0.66
    tert-butylcyclohexane 1.96
    cyclooctane 0.73
    cyclopentanol 142.67
    tetrahydropyran 229.24
    tert-amyl methyl ether 104.43
    2,5,8-trioxanonane 163.0
    1-hexene 15.87
    2-isopropoxyethanol 149.14
    2,2,2-trifluoroethanol 66.63
    methyl butyrate 164.45

    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