Difenoconazole

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  • Identifiers

    CAS number
    119446-68-3

    Molecular formula
    C19H17Cl2N3O3

    SMILES
    CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 46.59%
    Sweet 40.68%
    Fruity 39.03%
    Grape 32.45%
    Odorless 28.72%
    Neroli 28.72%
    Animal 27.86%
    Powdery 25.94%
    Vanilla 23.69%
    Honey 20.05%

     

    Flavor
    Bitter 83.1%
    Odorless 24.21%
    Sweet-like 20.84%
    Cedarleaf 20.44%
    Scallion 20.25%
    Very strong 20.01%
    Indole 19.86%
    Cereal 19.75%
    Bland 19.63%
    Roasted 19.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    4.98 (weak acid)

    Molecular weight
    406.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 78.6 °C

    Boiling point

    • 100.8 °C (3.7 mPa)

    Flash point

    • 209.96 ˚C est.

    Solubility expt.

    • In water, 15 mg/L at 25 °C
    • In water, 5 mg/L at 20 °C
    • Very soluble in most organic solvents
    • Soluble in acetone, dichloromethane, toluene, methanol and ethyl acetate >500 g/L, hexane 3 g/L, octanol 110 g/L (at 25 °C)

  • Synonyms

    • Difenoconazole
    • 119446-68-3
    • Bardos Neu
    • Difenconazole
    • Difenoconazol
    • Dividend
    • 1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole
    • Plover
    • Score
    • Score EC 250
    • Dividend (fungicide)
    • C19H17Cl2N3O3
    • CGA 169374
    • UNII-D9612XCH4P
    • 1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole
    • DTXSID4032372
    • CHEBI:81760
    • 1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-
    • D9612XCH4P
    • 1H-1,2,4-Triazole, 1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-
    • DTXCID2012372
    • HSDB 8370
    • MMV688943
    • Difenoconazole 10 microg/mL in Cyclohexane
    • Difenoconazole 10 microg/mL in Acetonitrile
    • Difenoconazole 100 microg/mL in Cyclohexane
    • Difenoconazole [ISO]
    • 1h-1,2,4-triazole,1-((2-(2-chloro-4(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-
    • MFCD00144119
    • PLANDOM
    • SPECTRO
    • 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
    • Difenoconazole (Standard)
    • SCHEMBL22125
    • CHEMBL466426
    • HY-B0850R
    • BCP21450
    • HY-B0850
    • MSK21189
    • Tox21_301110
    • AKOS015907773
    • CGA-169374
    • FD32937
    • NCGC00163894-01
    • NCGC00163894-02
    • NCGC00163894-03
    • NCGC00255010-01
    • AS-13948
    • Difenoconazole 1000 microg/mL in Acetone
    • Difenoconazole 1000 microg/mL in Toluene
    • DB-061566
    • CAS-119446-68-3
    • CS-0012864
    • NS00000433
    • C18459
    • F21399
    • Bardos Neu, Difenoconazol, Dividend (fungicide)
    • Difenoconazol, PESTANAL(R), analytical standard
    • EN300-7392201
    • SR-05000022490
    • Q3027717
    • SR-05000022490-1
    • Z3234897102
    • 1-((2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole #
    • CIS,TRANS-3-CHLORO-4-(4-METHYL-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-2-YL)PHENYL 4-CHLOROPHENYL ETHER

  • Applications

    Typical applications include protection of cereals (such as wheat, rice, and maize) from fungal diseases, protection of fruits and vegetables, seed treatment to protect seedlings, and foliar sprays for preventive and curative control, with use in both field and greenhouse environments. Formulations commonly include emulsifiable concentrates (EC), suspension concentrates (SC), and wettable powders (WP), and it is often integrated into integrated pest management programs to maintain crop health and yield.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.34
    methanol 8.12
    isopropanol 24.1
    water 0.05
    ethyl acetate 71.57
    n-propanol 26.02
    acetone 49.42
    n-butanol 28.34
    acetonitrile 58.32
    DMF 35.53
    toluene 35.65
    isobutanol 27.29
    1,4-dioxane 112.29
    methyl acetate 72.63
    THF 170.33
    2-butanone 80.94
    n-pentanol 34.27
    sec-butanol 32.64
    n-hexane 0.92
    ethylene glycol 6.77
    NMP 77.31
    cyclohexane 3.85
    DMSO 76.39
    n-butyl acetate 52.88
    n-octanol 23.96
    chloroform 541.42
    n-propyl acetate 60.15
    acetic acid 52.23
    dichloromethane 513.21
    cyclohexanone 115.67
    propylene glycol 6.87
    isopropyl acetate 48.35
    DMAc 175.44
    2-ethoxyethanol 65.01
    isopentanol 31.43
    n-heptane 2.3
    ethyl formate 42.3
    1,2-dichloroethane 154.85
    n-hexanol 23.66
    2-methoxyethanol 43.79
    isobutyl acetate 44.26
    tetrachloromethane 22.31
    n-pentyl acetate 46.7
    transcutol 177.46
    n-heptanol 20.26
    ethylbenzene 19.37
    MIBK 45.04
    2-propoxyethanol 69.7
    tert-butanol 23.18
    MTBE 32.44
    2-butoxyethanol 52.18
    propionic acid 33.31
    o-xylene 20.39
    formic acid 17.02
    diethyl ether 34.21
    m-xylene 17.79
    p-xylene 28.82
    chlorobenzene 80.66
    dimethyl carbonate 53.76
    n-octane 1.2
    formamide 23.43
    cyclopentanone 92.5
    2-pentanone 53.92
    anisole 67.85
    cyclopentyl methyl ether 60.77
    gamma-butyrolactone 111.3
    1-methoxy-2-propanol 45.3
    pyridine 119.29
    3-pentanone 63.06
    furfural 111.74
    n-dodecane 2.09
    diethylene glycol 48.38
    diisopropyl ether 9.8
    tert-amyl alcohol 28.26
    acetylacetone 84.26
    n-hexadecane 2.48
    acetophenone 77.41
    methyl propionate 62.81
    isopentyl acetate 50.06
    trichloroethylene 394.41
    n-nonanol 25.74
    cyclohexanol 46.18
    benzyl alcohol 60.64
    2-ethylhexanol 23.32
    isooctanol 20.09
    dipropyl ether 35.22
    1,2-dichlorobenzene 84.19
    ethyl lactate 43.48
    propylene carbonate 90.34
    n-methylformamide 22.42
    2-pentanol 21.96
    n-pentane 1.04
    1-propoxy-2-propanol 55.3
    1-methoxy-2-propyl acetate 76.16
    2-(2-methoxypropoxy) propanol 83.49
    mesitylene 9.72
    ε-caprolactone 105.17
    p-cymene 16.87
    epichlorohydrin 189.15
    1,1,1-trichloroethane 119.4
    2-aminoethanol 11.81
    morpholine-4-carbaldehyde 107.98
    sulfolane 106.1
    2,2,4-trimethylpentane 1.34
    2-methyltetrahydrofuran 103.11
    n-hexyl acetate 52.51
    isooctane 0.66
    2-(2-butoxyethoxy)ethanol 90.1
    sec-butyl acetate 45.72
    tert-butyl acetate 44.12
    decalin 2.64
    glycerin 16.17
    diglyme 153.39
    acrylic acid 36.73
    isopropyl myristate 29.16
    n-butyric acid 50.4
    acetyl acetate 68.76
    di(2-ethylhexyl) phthalate 39.09
    ethyl propionate 60.4
    nitromethane 85.8
    1,2-diethoxyethane 82.25
    benzonitrile 77.31
    trioctyl phosphate 24.64
    1-bromopropane 70.23
    gamma-valerolactone 126.49
    n-decanol 20.39
    triethyl phosphate 41.87
    4-methyl-2-pentanol 15.55
    propionitrile 58.52
    vinylene carbonate 96.75
    1,1,2-trichlorotrifluoroethane 137.27
    DMS 57.94
    cumene 13.57
    2-octanol 16.12
    2-hexanone 63.95
    octyl acetate 37.46
    limonene 22.46
    1,2-dimethoxyethane 119.26
    ethyl orthosilicate 39.39
    tributyl phosphate 30.74
    diacetone alcohol 51.3
    N,N-dimethylaniline 43.64
    acrylonitrile 69.37
    aniline 55.3
    1,3-propanediol 21.53
    bromobenzene 97.98
    dibromomethane 254.78
    1,1,2,2-tetrachloroethane 260.61
    2-methyl-cyclohexyl acetate 55.06
    tetrabutyl urea 46.96
    diisobutyl methanol 14.19
    2-phenylethanol 50.86
    styrene 29.5
    dioctyl adipate 53.34
    dimethyl sulfate 72.02
    ethyl butyrate 59.04
    methyl lactate 41.15
    butyl lactate 44.19
    diethyl carbonate 52.04
    propanediol butyl ether 39.8
    triethyl orthoformate 54.23
    p-tert-butyltoluene 14.1
    methyl 4-tert-butylbenzoate 65.38
    morpholine 105.74
    tert-butylamine 11.41
    n-dodecanol 16.41
    dimethoxymethane 65.76
    ethylene carbonate 84.36
    cyrene 93.58
    2-ethoxyethyl acetate 74.52
    2-ethylhexyl acetate 43.42
    1,2,4-trichlorobenzene 105.69
    4-methylpyridine 88.74
    dibutyl ether 34.28
    2,6-dimethyl-4-heptanol 14.19
    DEF 69.62
    dimethyl isosorbide 132.37
    tetrachloroethylene 144.68
    eugenol 65.77
    triacetin 78.85
    span 80 55.94
    1,4-butanediol 17.69
    1,1-dichloroethane 140.96
    2-methyl-1-pentanol 36.91
    methyl formate 25.38
    2-methyl-1-butanol 33.92
    n-decane 3.15
    butyronitrile 51.19
    3,7-dimethyl-1-octanol 25.26
    1-chlorooctane 18.13
    1-chlorotetradecane 8.44
    n-nonane 2.36
    undecane 2.51
    tert-butylcyclohexane 1.83
    cyclooctane 1.1
    cyclopentanol 46.43
    tetrahydropyran 107.47
    tert-amyl methyl ether 34.31
    2,5,8-trioxanonane 134.41
    1-hexene 7.69
    2-isopropoxyethanol 60.37
    2,2,2-trifluoroethanol 33.85
    methyl butyrate 68.06

    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