Mefentrifluconazole

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  • Identifiers

    CAS number
    1417782-03-6

    Molecular formula
    C18H15ClF3N3O2

    SMILES
    CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 42.46%
    Odorless 37.27%
    Sweet 36.32%
    Fruity 31.18%
    Grape 27.68%
    Animal 27.29%
    Musk 27.2%
    Balsamic 26.54%
    Powdery 26.38%
    Neroli 23.11%

     

    Flavor
    Bitter 74.57%
    Odorless 41.51%
    Bland 28.04%
    Mild 25.89%
    Sweet-like 21.49%
    Cedarleaf 19.52%
    Nitrile 19.47%
    Very strong 19.15%
    Scallion 19.1%
    Indole 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    5.58 (weak acid)

    Molecular weight
    397.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    537°C

    Flash point

    • 195.89 ˚C est.

  • Synonyms

    • Mefentrifluconazole
    • 1417782-03-6
    • Revysol
    • D9EYN9N7UI
    • 2-(4-(4-Chlorophenoxy)-2-(trifluoromethyl)phenyl)-1-(1H-1,2,4-triazol-1-yl)propan-2-ol
    • 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol
    • CHEBI:144539
    • DTXSID40894945
    • 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol
    • 1H-1,2,4-Triazole-1-ethanol, alpha-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-alpha-methyl-
    • 1H-1,2,4-TRIAZOLE-1-ETHANOL, ALPHA-(4-(4-CHLOROPHENOXY)-2-(TRIFLUOROMETHYL)PHENYL)-ALPHA-METHYL-
    • 2-(4-(4-Chlorophenoxy)-2-(trifluoromethyl)phenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
    • RefChem:810848
    • CHEBI:144514
    • DTXCID701324509
    • 822-682-6
    • Mefentrifluconazole [ISO]
    • MFCD31735110
    • 1H-1,2,4-Triazole-1-ethanol,alpha-(4-(4-chlorophenoxy)-2- (trifluoromethyl)phenyl)-alpha-methyl
    • 1417782-23-0
    • UNII-D9EYN9N7UI
    • Mefentrifluconazole?
    • Mefentrifluconazole 100 microg/mL in Acetonitrile
    • C18H15ClF3N3O2
    • orb1309438
    • SCHEMBL14645411
    • SCHEMBL29363144
    • MSK21401
    • AKOS040733706
    • 1H-1,2,4-Triazole-1-ethanol, alpha-(4-(4-chlorophenoxy)-2- (trifluoromethyl)phenyl)-alpha-methyl-
    • DA-65318
    • MS-26718
    • HY-136063
    • CS-0119385
    • NS00133807
    • D81421
    • EN300-6729813
    • Q27276274
    • 2-[4-(4-chloro-phenoxy)-2-trifluoromethyl-phenyl]-1-[1,2,4]triazol-1-yl-propan-2-ol
    • 1H-1,2,4-Triazole-1-ethanol, .alpha.-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-.alpha.-methyl-
    • a-[4-(4-Chlorophenoxy)-2-(trifluoromethyl)phenyl]-a-methyl-1H-1,2,4-triazole-1-ethanol; 2-[4-(4-Chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol; 2-[4-(4-Chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol
    • alpha-(4-(4-chlorophenoxy)-2- (trifluoromethyl)phenyl)-alpha-methyl-1H-1,2,4-triazole-1-ethanol
    • 1417782-03-6

  • Applications

    Mefentrifluconazole (CAS 1417782-03-6) is a systemic azole fungicide used as the active ingredient in professional crop-protection formulations. It is commonly applied to protect cereals, fruit crops, vegetables, grapevines and ornamental/horticultural crops against a range of fungal diseases, delivering protective and systemic control through foliar applications within field or greenhouse programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 140.66
    methanol 165.41
    isopropanol 61.6
    water 0.02
    ethyl acetate 208.85
    n-propanol 76.72
    acetone 469.91
    n-butanol 59.72
    acetonitrile 209.12
    DMF 455.28
    toluene 41.71
    isobutanol 42.32
    1,4-dioxane 275.36
    methyl acetate 245.39
    THF 930.62
    2-butanone 296.69
    n-pentanol 36.85
    sec-butanol 55.86
    n-hexane 0.41
    ethylene glycol 16.52
    NMP 282.69
    cyclohexane 1.04
    DMSO 928.45
    n-butyl acetate 71.38
    n-octanol 15.38
    chloroform 233.33
    n-propyl acetate 105.26
    acetic acid 240.58
    dichloromethane 264.83
    cyclohexanone 232.21
    propylene glycol 19.34
    isopropyl acetate 92.6
    DMAc 575.28
    2-ethoxyethanol 185.25
    isopentanol 46.15
    n-heptane 0.82
    ethyl formate 148.26
    1,2-dichloroethane 170.8
    n-hexanol 29.95
    2-methoxyethanol 341.03
    isobutyl acetate 38.88
    tetrachloromethane 8.56
    n-pentyl acetate 45.26
    transcutol 232.17
    n-heptanol 17.1
    ethylbenzene 17.66
    MIBK 74.37
    2-propoxyethanol 140.52
    tert-butanol 58.45
    MTBE 66.68
    2-butoxyethanol 72.32
    propionic acid 68.75
    o-xylene 19.93
    formic acid 105.41
    diethyl ether 96.54
    m-xylene 15.91
    p-xylene 19.19
    chlorobenzene 41.64
    dimethyl carbonate 111.33
    n-octane 0.4
    formamide 211.4
    cyclopentanone 359.03
    2-pentanone 196.74
    anisole 99.98
    cyclopentyl methyl ether 106.2
    gamma-butyrolactone 347.38
    1-methoxy-2-propanol 183.91
    pyridine 248.9
    3-pentanone 118.65
    furfural 287.47
    n-dodecane 0.62
    diethylene glycol 111.5
    diisopropyl ether 12.35
    tert-amyl alcohol 55.77
    acetylacetone 298.65
    n-hexadecane 0.73
    acetophenone 103.12
    methyl propionate 158.67
    isopentyl acetate 55.88
    trichloroethylene 332.96
    n-nonanol 16.48
    cyclohexanol 38.56
    benzyl alcohol 69.81
    2-ethylhexanol 17.59
    isooctanol 13.7
    dipropyl ether 35.13
    1,2-dichlorobenzene 38.43
    ethyl lactate 50.45
    propylene carbonate 143.67
    n-methylformamide 230.61
    2-pentanol 27.7
    n-pentane 0.67
    1-propoxy-2-propanol 72.97
    1-methoxy-2-propyl acetate 114.59
    2-(2-methoxypropoxy) propanol 86.15
    mesitylene 6.69
    ε-caprolactone 182.26
    p-cymene 10.46
    epichlorohydrin 597.56
    1,1,1-trichloroethane 93.03
    2-aminoethanol 43.08
    morpholine-4-carbaldehyde 335.27
    sulfolane 321.35
    2,2,4-trimethylpentane 0.73
    2-methyltetrahydrofuran 270.88
    n-hexyl acetate 52.47
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 108.28
    sec-butyl acetate 57.54
    tert-butyl acetate 79.7
    decalin 0.86
    glycerin 38.91
    diglyme 252.57
    acrylic acid 70.71
    isopropyl myristate 23.23
    n-butyric acid 103.06
    acetyl acetate 141.11
    di(2-ethylhexyl) phthalate 27.75
    ethyl propionate 97.51
    nitromethane 677.11
    1,2-diethoxyethane 94.75
    benzonitrile 75.82
    trioctyl phosphate 16.91
    1-bromopropane 64.58
    gamma-valerolactone 488.63
    n-decanol 12.7
    triethyl phosphate 34.0
    4-methyl-2-pentanol 15.18
    propionitrile 108.37
    vinylene carbonate 137.31
    1,1,2-trichlorotrifluoroethane 238.43
    DMS 65.15
    cumene 9.36
    2-octanol 11.04
    2-hexanone 106.58
    octyl acetate 33.35
    limonene 14.51
    1,2-dimethoxyethane 384.37
    ethyl orthosilicate 28.92
    tributyl phosphate 22.05
    diacetone alcohol 103.88
    N,N-dimethylaniline 46.64
    acrylonitrile 150.85
    aniline 62.95
    1,3-propanediol 81.06
    bromobenzene 37.48
    dibromomethane 130.2
    1,1,2,2-tetrachloroethane 215.73
    2-methyl-cyclohexyl acetate 47.78
    tetrabutyl urea 40.74
    diisobutyl methanol 9.91
    2-phenylethanol 59.75
    styrene 24.46
    dioctyl adipate 44.96
    dimethyl sulfate 162.04
    ethyl butyrate 67.86
    methyl lactate 80.96
    butyl lactate 36.27
    diethyl carbonate 52.6
    propanediol butyl ether 45.84
    triethyl orthoformate 47.56
    p-tert-butyltoluene 9.19
    methyl 4-tert-butylbenzoate 60.44
    morpholine 346.46
    tert-butylamine 19.53
    n-dodecanol 9.57
    dimethoxymethane 404.55
    ethylene carbonate 112.86
    cyrene 93.29
    2-ethoxyethyl acetate 95.88
    2-ethylhexyl acetate 40.13
    1,2,4-trichlorobenzene 57.32
    4-methylpyridine 195.65
    dibutyl ether 24.03
    2,6-dimethyl-4-heptanol 9.91
    DEF 179.16
    dimethyl isosorbide 159.3
    tetrachloroethylene 102.23
    eugenol 65.32
    triacetin 72.34
    span 80 50.33
    1,4-butanediol 24.3
    1,1-dichloroethane 126.95
    2-methyl-1-pentanol 31.85
    methyl formate 210.5
    2-methyl-1-butanol 44.58
    n-decane 0.94
    butyronitrile 100.57
    3,7-dimethyl-1-octanol 16.63
    1-chlorooctane 8.0
    1-chlorotetradecane 3.47
    n-nonane 0.7
    undecane 0.75
    tert-butylcyclohexane 0.67
    cyclooctane 0.32
    cyclopentanol 57.58
    tetrahydropyran 187.45
    tert-amyl methyl ether 57.8
    2,5,8-trioxanonane 184.61
    1-hexene 6.04
    2-isopropoxyethanol 89.08
    2,2,2-trifluoroethanol 64.96
    methyl butyrate 138.75

    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