Flutianil

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  • Identifiers

    CAS number
    958647-10-4

    Molecular formula
    C19H14F4N2OS2

    SMILES
    COC1=CC=CC=C1N\2CCS/C2=C(/C#N)\SC3=C(C=CC(=C3)C(F)(F)F)F

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 41.2%
    Odorless 40.08%
    Roasted 30.31%
    Savory 29.73%
    Cooked 29.21%
    Fatty 20.9%
    Burnt 19.22%
    Sweet 18.78%
    Milky 17.13%
    Animal 17.01%

     

    Flavor
    Bitter 79.19%
    Odorless 28.86%
    Bland 23.45%
    Nitrile 19.54%
    Roasted 19.14%
    Sweet-like 19.05%
    Scallion 18.85%
    Very strong 18.68%
    Cedarleaf 18.53%
    Taco 18.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    6.54 (neutral)

    Molecular weight
    426.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    582°C

    Flash point

    • 216.04 ˚C est.

  • Synonyms

    • Flutianil
    • 958647-10-4
    • Flutianil [ISO]
    • UNII-11KT64027Y
    • 11KT64027Y
    • OK 5203
    • DTXSID0058225
    • CHEBI:83277
    • V 10118
    • (2Z)-{[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl}[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
    • (2Z)-2-((2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL)THIO)-2-(3-(2-METHOXYPHENYL)-2-THIAZOLIDINYLIDENE)ACETONITRILE
    • (2Z)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]acetonitrile
    • (Z)-(3-(2-METHOXYPHENYL)-1,3-THIAZOLIDIN-2-YLIDENE)(.ALPHA.,.ALPHA.,.ALPHA.,4-TETRAFLUORO-M-TOLYLTHIO)ACETONITRILE
    • (Z)-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene](alpha,alpha,alpha,4-tetrafluoro-m-tolylthio)acetonitrile
    • (2Z)-((2-fluoro-5-(trifluoromethyl)phenyl)sulfanyl)(3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene)acetonitrile
    • (Z)-(3-(2-METHOXYPHENYL)-1,3-THIAZOLIDIN-2-YLIDENE)(ALPHA,ALPHA,ALPHA,4-TETRAFLUORO-M-TOLYLTHIO)ACETONITRILE
    • RefChem:141069
    • DTXCID3031993
    • N-(3-Isopropoxyphen-yl)-2-(trifluoro-meth-yl)benzamide
    • (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile
    • Acetonitrile, 2-[[2-fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]-, (2Z)-; (2Z)-2-[[2-Fluoro-5-(trifluoromethyl)phenyl]thio]-2-[3-(2-methoxyphenyl)-2-thiazolidinylidene]acetonitrile; Flutianil; OK 5203; V 10118
    • Flutianil 100 microg/mL in Acetonitrile
    • SCHEMBL164369
    • orb1697180
    • SCHEMBL29358926
    • SCHEMBL29814972
    • MSK21374
    • AKOS040751828
    • DB-214772
    • HY-126724
    • (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)thiazolidin-2-ylidene]acetonitrile
    • 958647-10-4

  • Applications

    Flutianil (CAS 958647-10-4) is primarily used as a plant-protection fungicide in agriculture to control fungal diseases on crops. It is formulated for foliar spray applications in field and greenhouse environments and is also used in seed-treatment formulations to protect germinating seeds. In some crops, it may be evaluated for post-harvest protection to extend shelf life, and it can be incorporated into a range of agrochemical formulations for crop-protection programs across different agricultural sectors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.23
    methanol 34.63
    isopropanol 7.14
    water 0.13
    ethyl acetate 25.6
    n-propanol 11.58
    acetone 49.95
    n-butanol 8.43
    acetonitrile 41.37
    DMF 128.42
    toluene 6.29
    isobutanol 6.21
    1,4-dioxane 24.14
    methyl acetate 33.67
    THF 53.22
    2-butanone 34.06
    n-pentanol 8.99
    sec-butanol 6.71
    n-hexane 0.22
    ethylene glycol 14.99
    NMP 102.05
    cyclohexane 0.24
    DMSO 98.16
    n-butyl acetate 18.94
    n-octanol 6.65
    chloroform 35.37
    n-propyl acetate 24.63
    acetic acid 51.42
    dichloromethane 46.38
    cyclohexanone 35.45
    propylene glycol 10.81
    isopropyl acetate 15.99
    DMAc 114.15
    2-ethoxyethanol 42.95
    isopentanol 6.16
    n-heptane 0.53
    ethyl formate 29.56
    1,2-dichloroethane 24.61
    n-hexanol 8.22
    2-methoxyethanol 60.46
    isobutyl acetate 11.05
    tetrachloromethane 2.8
    n-pentyl acetate 20.08
    transcutol 78.8
    n-heptanol 8.05
    ethylbenzene 3.73
    MIBK 14.69
    2-propoxyethanol 40.95
    tert-butanol 5.81
    MTBE 4.95
    2-butoxyethanol 29.93
    propionic acid 24.98
    o-xylene 4.34
    formic acid 60.63
    diethyl ether 9.63
    m-xylene 4.45
    p-xylene 4.37
    chlorobenzene 10.16
    dimethyl carbonate 36.78
    n-octane 0.3
    formamide 91.61
    cyclopentanone 57.45
    2-pentanone 27.28
    anisole 16.26
    cyclopentyl methyl ether 12.45
    gamma-butyrolactone 75.7
    1-methoxy-2-propanol 39.3
    pyridine 37.9
    3-pentanone 20.8
    furfural 93.9
    n-dodecane 0.39
    diethylene glycol 44.5
    diisopropyl ether 2.2
    tert-amyl alcohol 5.83
    acetylacetone 52.13
    n-hexadecane 0.45
    acetophenone 27.1
    methyl propionate 31.03
    isopentyl acetate 13.47
    trichloroethylene 62.52
    n-nonanol 7.2
    cyclohexanol 5.54
    benzyl alcohol 19.01
    2-ethylhexanol 5.44
    isooctanol 6.2
    dipropyl ether 9.11
    1,2-dichlorobenzene 11.61
    ethyl lactate 26.41
    propylene carbonate 39.73
    n-methylformamide 74.44
    2-pentanol 4.76
    n-pentane 0.27
    1-propoxy-2-propanol 27.31
    1-methoxy-2-propyl acetate 33.24
    2-(2-methoxypropoxy) propanol 31.18
    mesitylene 2.4
    ε-caprolactone 35.08
    p-cymene 3.79
    epichlorohydrin 66.05
    1,1,1-trichloroethane 12.91
    2-aminoethanol 19.39
    morpholine-4-carbaldehyde 97.29
    sulfolane 89.21
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 17.33
    n-hexyl acetate 18.2
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 38.4
    sec-butyl acetate 12.52
    tert-butyl acetate 15.01
    decalin 0.24
    glycerin 26.81
    diglyme 70.9
    acrylic acid 38.61
    isopropyl myristate 7.91
    n-butyric acid 23.96
    acetyl acetate 28.21
    di(2-ethylhexyl) phthalate 13.77
    ethyl propionate 21.02
    nitromethane 147.71
    1,2-diethoxyethane 23.16
    benzonitrile 25.25
    trioctyl phosphate 8.67
    1-bromopropane 8.21
    gamma-valerolactone 100.3
    n-decanol 5.54
    triethyl phosphate 11.26
    4-methyl-2-pentanol 3.37
    propionitrile 22.75
    vinylene carbonate 51.85
    1,1,2-trichlorotrifluoroethane 73.08
    DMS 26.71
    cumene 2.51
    2-octanol 5.08
    2-hexanone 21.86
    octyl acetate 11.54
    limonene 4.39
    1,2-dimethoxyethane 57.47
    ethyl orthosilicate 9.47
    tributyl phosphate 9.85
    diacetone alcohol 23.84
    N,N-dimethylaniline 12.18
    acrylonitrile 48.3
    aniline 12.25
    1,3-propanediol 19.16
    bromobenzene 8.69
    dibromomethane 21.89
    1,1,2,2-tetrachloroethane 34.3
    2-methyl-cyclohexyl acetate 14.61
    tetrabutyl urea 17.26
    diisobutyl methanol 3.6
    2-phenylethanol 17.83
    styrene 4.97
    dioctyl adipate 16.57
    dimethyl sulfate 56.98
    ethyl butyrate 19.17
    methyl lactate 37.99
    butyl lactate 24.71
    diethyl carbonate 15.09
    propanediol butyl ether 26.65
    triethyl orthoformate 14.21
    p-tert-butyltoluene 3.19
    methyl 4-tert-butylbenzoate 28.88
    morpholine 30.46
    tert-butylamine 2.7
    n-dodecanol 4.16
    dimethoxymethane 71.97
    ethylene carbonate 33.33
    cyrene 45.55
    2-ethoxyethyl acetate 39.77
    2-ethylhexyl acetate 10.8
    1,2,4-trichlorobenzene 14.91
    4-methylpyridine 28.96
    dibutyl ether 7.15
    2,6-dimethyl-4-heptanol 3.6
    DEF 37.06
    dimethyl isosorbide 54.16
    tetrachloroethylene 23.0
    eugenol 36.6
    triacetin 41.46
    span 80 25.43
    1,4-butanediol 12.5
    1,1-dichloroethane 15.61
    2-methyl-1-pentanol 6.79
    methyl formate 67.43
    2-methyl-1-butanol 6.27
    n-decane 0.61
    butyronitrile 16.61
    3,7-dimethyl-1-octanol 5.5
    1-chlorooctane 3.24
    1-chlorotetradecane 1.55
    n-nonane 0.46
    undecane 0.48
    tert-butylcyclohexane 0.22
    cyclooctane 0.12
    cyclopentanol 8.8
    tetrahydropyran 11.76
    tert-amyl methyl ether 5.55
    2,5,8-trioxanonane 54.75
    1-hexene 1.63
    2-isopropoxyethanol 25.36
    2,2,2-trifluoroethanol 31.58
    methyl butyrate 26.97

    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