Triflumizole

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  • Identifiers

    CAS number
    68694-11-1

    Molecular formula
    C15H15ClF3N3O

    SMILES
    CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 38.93%
    Sweet 30.01%
    Grape 29.53%
    Floral 29.18%
    Fruity 24.49%
    Animal 23.45%
    Fatty 22.13%
    Milky 21.65%
    Savory 21.64%
    Fresh 21.61%

     

    Flavor
    Bitter 72.28%
    Odorless 37.18%
    Bland 26.45%
    Roasted 23.29%
    Mild 22.26%
    Sweet-like 20.53%
    Nitrile 19.61%
    Scallion 19.52%
    Cedarleaf 19.45%
    Bread crust 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.41 (neutral)

    Molecular weight
    345.75 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 63.5 °C
    • 63 °C

    Boiling point

    • No boiling point at normal pressure; decomposes at 150 °C

    Flash point

    • 177.68 ˚C est.

    Solubility expt.

    • In water, 10.2 mg/L at 20 °C and pH 7
    • In chloroform = 2.22 mg/L at 20 °C; hexane = 0.0176 mg/L at 20 °C; xylene = 0.639 mg/L at 20 °C; acetone = 1.44 mg/L at 20 °C; methanol = 0.496 mg/L at 20 °C
    • Solubility in water, mg/l at 20 °C: 10.2 (practically insoluble)

  • Synonyms

    • Triflumizole
    • 68694-11-1
    • Triflumizol
    • Terraguard
    • Trifmine
    • Procure
    • Trifumine
    • Condor
    • trifumin
    • NF-114
    • DTXSID2032500
    • 7J6Y4H9MV5
    • SSP-11
    • (E)-4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine
    • 1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole
    • PROCURE (FUNGICIDE)
    • DTXCID0012500
    • CHEBI:81784
    • 4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine
    • (1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine
    • 1H-Imidazole, 1-((1E)-1-((4-chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-
    • 1H-IMIDAZOLE, 1-(1-((4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL)IMINO)-2-PROPOXYETHYL)-, (E)-
    • (1E)-N-(4-chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine
    • (1E)-N-(4-chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine
    • (1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethanimine
    • 1-((1E)-1-((4-chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole
    • 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole
    • RefChem:438247
    • 614-708-8
    • 99387-89-0
    • N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine
    • 1H-Imidazole, 1-(1-((4-chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-
    • Triflumizole [BSI:ISO]
    • Triflumizole [ISO]
    • UNII-7J6Y4H9MV5
    • 4-Chloro-N-[(E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline #
    • Triflumizole 10 microg/mL in Isooctane
    • TRIFLUMIZOLE [MI]
    • SCHEMBL21794
    • orb321835
    • SCHEMBL433958
    • CHEMBL463781
    • SCHEMBL2763610
    • SCHEMBL29376414
    • SCHEMBL30583053
    • HSDB 8369
    • DTXSID20860885
    • HSMVPDGQOIQYSR-STZFKDTASA-N
    • MSK21184
    • Tox21_300866
    • (E)-N-(1-imidazol-1-yl-2-propoxyethylidene)-4-chloro-2-trifluoro-o-toluidine
    • AKOS015915014
    • AKOS040758292
    • HY-W020777
    • N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine
    • NCGC00163901-01
    • NCGC00163901-02
    • NCGC00163901-03
    • NCGC00163901-04
    • NCGC00254770-01
    • AS-88624
    • DA-78615
    • LS-14386
    • CAS-68694-11-1
    • CS-0031861
    • NS00006114
    • C18493
    • G13816
    • Triflumizole, PESTANAL(R), analytical standard
    • 387T890
    • Q2519096
    • 4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]- 2-(trifluoromethyl)aniline
    • 4-Chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine
    • (E)-4-Chloro-|A,|A,|A-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine; 1-?{1-?{[4-?Chloro-?2-?(trifluoromethyl)?phenyl]?imino}-?2-?propoxyethyl}-?1H-imidazole
    • [N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine
    • 149465-52-1
    • 4-Chloro-N-[1-(1H-Imidazol-1-Yl)-2-Propoxyethylidene]-2-(Trifluoromethyl)-[N(E)]-Benzenamine
    • BENZENAMINE, 4-CHLORO-N-(1-(1H-IMIDAZOL-1-YL)-2-PROPOXYETHYLIDENE)-2-(TRIFLUOROMETHYL)-, (N(E))-
    • Pesticide6_Triflumizole_C15H15ClF3N3O_4-Chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine
    • 68694-11-1

  • Applications

    Triflumizole (CAS 68694-11-1) is a systemic fungicide in the triazole (DMI) class used for crop protection in agriculture to control fungal diseases on crops. Typical applications include foliar sprays for field and greenhouse crops to manage powdery mildew, leaf spot, and other mold-related diseases on a range of plants, including grapes and strawberries as fruit crops and tomatoes and cucumbers as vegetables. The triflumizole-containing formulations are developed for crop protection products and are commonly employed as part of integrated pest management programs, with use subject to local regulations and label limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 178.23
    methanol 230.88
    isopropanol 105.02
    water 0.02
    ethyl acetate 392.98
    n-propanol 128.18
    acetone 678.22
    n-butanol 119.38
    acetonitrile 424.29
    DMF 674.18
    toluene 336.36
    isobutanol 94.92
    1,4-dioxane 285.15
    methyl acetate 400.77
    THF 767.2
    2-butanone 516.09
    n-pentanol 85.7
    sec-butanol 122.12
    n-hexane 3.25
    ethylene glycol 19.72
    NMP 636.76
    cyclohexane 7.6
    DMSO 830.14
    n-butyl acetate 156.74
    n-octanol 22.98
    chloroform 1238.03
    n-propyl acetate 198.53
    acetic acid 433.02
    dichloromethane 1501.37
    cyclohexanone 472.28
    propylene glycol 34.1
    isopropyl acetate 195.39
    DMAc 891.83
    2-ethoxyethanol 216.5
    isopentanol 118.17
    n-heptane 3.43
    ethyl formate 226.92
    1,2-dichloroethane 815.04
    n-hexanol 67.26
    2-methoxyethanol 361.77
    isobutyl acetate 97.29
    tetrachloromethane 74.91
    n-pentyl acetate 102.18
    transcutol 479.3
    n-heptanol 34.6
    ethylbenzene 86.67
    MIBK 180.11
    2-propoxyethanol 186.29
    tert-butanol 133.21
    MTBE 150.06
    2-butoxyethanol 114.65
    propionic acid 160.85
    o-xylene 137.57
    formic acid 139.8
    diethyl ether 178.52
    m-xylene 135.25
    p-xylene 118.28
    chlorobenzene 278.01
    dimethyl carbonate 204.57
    n-octane 1.42
    formamide 300.55
    cyclopentanone 563.47
    2-pentanone 370.39
    anisole 226.0
    cyclopentyl methyl ether 235.8
    gamma-butyrolactone 563.35
    1-methoxy-2-propanol 245.92
    pyridine 667.23
    3-pentanone 275.68
    furfural 612.72
    n-dodecane 1.64
    diethylene glycol 157.39
    diisopropyl ether 36.9
    tert-amyl alcohol 139.25
    acetylacetone 517.51
    n-hexadecane 1.94
    acetophenone 268.63
    methyl propionate 325.2
    isopentyl acetate 131.8
    trichloroethylene 1749.23
    n-nonanol 25.67
    cyclohexanol 124.56
    benzyl alcohol 198.02
    2-ethylhexanol 45.94
    isooctanol 32.19
    dipropyl ether 64.06
    1,2-dichlorobenzene 233.1
    ethyl lactate 105.75
    propylene carbonate 315.91
    n-methylformamide 313.29
    2-pentanol 78.51
    n-pentane 5.04
    1-propoxy-2-propanol 123.71
    1-methoxy-2-propyl acetate 198.98
    2-(2-methoxypropoxy) propanol 170.78
    mesitylene 56.89
    ε-caprolactone 364.98
    p-cymene 46.02
    epichlorohydrin 1009.07
    1,1,1-trichloroethane 577.25
    2-aminoethanol 62.83
    morpholine-4-carbaldehyde 515.53
    sulfolane 593.87
    2,2,4-trimethylpentane 5.22
    2-methyltetrahydrofuran 420.87
    n-hexyl acetate 110.35
    isooctane 2.54
    2-(2-butoxyethoxy)ethanol 186.65
    sec-butyl acetate 129.64
    tert-butyl acetate 183.27
    decalin 4.98
    glycerin 61.97
    diglyme 355.58
    acrylic acid 183.73
    isopropyl myristate 46.86
    n-butyric acid 234.54
    acetyl acetate 280.13
    di(2-ethylhexyl) phthalate 70.77
    ethyl propionate 184.44
    nitromethane 948.52
    1,2-diethoxyethane 160.27
    benzonitrile 265.9
    trioctyl phosphate 39.12
    1-bromopropane 312.79
    gamma-valerolactone 692.16
    n-decanol 20.35
    triethyl phosphate 77.34
    4-methyl-2-pentanol 49.74
    propionitrile 236.26
    vinylene carbonate 313.48
    1,1,2-trichlorotrifluoroethane 603.99
    DMS 167.79
    cumene 45.54
    2-octanol 22.73
    2-hexanone 207.95
    octyl acetate 63.18
    limonene 60.07
    1,2-dimethoxyethane 393.07
    ethyl orthosilicate 66.48
    tributyl phosphate 52.88
    diacetone alcohol 224.78
    N,N-dimethylaniline 142.66
    acrylonitrile 371.18
    aniline 284.73
    1,3-propanediol 105.88
    bromobenzene 325.22
    dibromomethane 805.54
    1,1,2,2-tetrachloroethane 1022.35
    2-methyl-cyclohexyl acetate 110.06
    tetrabutyl urea 81.17
    diisobutyl methanol 29.55
    2-phenylethanol 145.43
    styrene 129.77
    dioctyl adipate 90.17
    dimethyl sulfate 294.76
    ethyl butyrate 135.28
    methyl lactate 161.59
    butyl lactate 94.09
    diethyl carbonate 108.34
    propanediol butyl ether 95.72
    triethyl orthoformate 89.12
    p-tert-butyltoluene 38.67
    methyl 4-tert-butylbenzoate 154.52
    morpholine 398.83
    tert-butylamine 67.0
    n-dodecanol 16.2
    dimethoxymethane 455.01
    ethylene carbonate 233.81
    cyrene 201.8
    2-ethoxyethyl acetate 189.24
    2-ethylhexyl acetate 100.95
    1,2,4-trichlorobenzene 314.08
    4-methylpyridine 669.0
    dibutyl ether 38.88
    2,6-dimethyl-4-heptanol 29.55
    DEF 357.9
    dimethyl isosorbide 272.25
    tetrachloroethylene 552.89
    eugenol 150.21
    triacetin 177.55
    span 80 110.8
    1,4-butanediol 39.27
    1,1-dichloroethane 670.2
    2-methyl-1-pentanol 97.82
    methyl formate 261.97
    2-methyl-1-butanol 121.38
    n-decane 2.16
    butyronitrile 226.47
    3,7-dimethyl-1-octanol 37.51
    1-chlorooctane 18.47
    1-chlorotetradecane 9.06
    n-nonane 1.72
    undecane 1.85
    tert-butylcyclohexane 4.31
    cyclooctane 2.12
    cyclopentanol 134.9
    tetrahydropyran 267.81
    tert-amyl methyl ether 141.28
    2,5,8-trioxanonane 269.07
    1-hexene 33.05
    2-isopropoxyethanol 139.94
    2,2,2-trifluoroethanol 138.84
    methyl butyrate 239.88

    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