Epoxiconazole

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  • Identifiers

    CAS number
    133855-98-8

    Molecular formula
    C17H13ClFN3O

    SMILES
    C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 45.79%
    Fruity 43.75%
    Grape 36.76%
    Neroli 29.92%
    Odorless 29.54%
    Animal 29.41%
    Sweet 26.56%
    Cooked 23.33%
    Orange 23.22%
    Honey 23.22%

     

    Flavor
    Bitter 82.16%
    Odorless 23.23%
    Very strong 20.33%
    Indole 19.81%
    Sweet-like 19.6%
    Nitrile 19.47%
    Cereal 19.21%
    Moth ball 19.18%
    Cedarleaf 19.15%
    Scallion 19.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    5.13 (weak acid)

    Molecular weight
    329.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    580°C

    Flash point

    • 199.53 ˚C est.

  • Synonyms

    • Epoxiconazole
    • Epoxiconazol
    • 133855-98-8
    • OPUS
    • epoxyconazole
    • 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
    • BAS 480F
    • U80T84L776
    • DTXSID1040372
    • BAS-480-F
    • 1H-1,2,4-triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl)methyl)-, rel-
    • Fire Opal
    • 1-(((2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl)methyl)-1,2,4-triazole
    • Fire Opal 8117
    • RefChem:55119
    • CHEBI:4811
    • DTXCID801518894
    • 406-850-2
    • 600-739-4
    • 603-768-0
    • Epoxiconazole [ISO]
    • Opal
    • 106325-08-0
    • (2S,3R)-epoxiconazole
    • (2RS,3RS)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-[(1H-1,2,4-triazol-1-yl)methyl]oxirane
    • 1H-1,2,4-Triazole,1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-
    • 1-{[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
    • (2RS,3RS)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-((1H-1,2,4-triazol-1-yl)methyl)oxirane
    • 476648-91-6
    • UNII-U80T84L776
    • Epoxiconazole (Standard)
    • Opal 7.5 EC
    • EPOXICONAZOLE [MI]
    • EC 406-850-2
    • (2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole
    • orb1306914
    • SCHEMBL1285204
    • CHEMBL5559381
    • CHEBI:83759
    • DTXSID40891575
    • 1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
    • MSK21304
    • AKOS015899598
    • HY-119683R
    • 1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-
    • BE163937
    • MS-24948
    • HY-119683
    • CS-0077811
    • G60935
    • Q27157183
    • (2RS,3RS)-1-(3-(2-CHLOROPHENYL)-2,3-EPOXY-2-(4-FLUOROPHENYL)-PROPYL)-1H-1,2,4-TRIAZOLE
    • 1-rel-[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-ylmethyl]-1H-[1,2,4]triazole
    • 1H-1,2,4-Triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, rel-
    • 1H-1,2,4-Triazole, 1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, cis-(+-)-
    • 1H-1,2,4-TRIAZOLE, 1-((3-(2-CHLOROPHENYL)-2-(4-FLUOROPHENYL)OXIRANYL)METHYL)-, CIS-(+/-)-
    • 1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel?
    • 133855-98-8

  • Applications

    Epoxiconazole is used primarily as a fungicide in crop protection formulations, applied to cereals (e.g., wheat, barley), fruits and vegetables, and grapes to control fungal diseases. It is a systemic azole fungicide often formulated for foliar sprays and can be used in seed treatments or greenhouse/horticultural applications. It is also employed in turf/landscape management to protect against fungal pathogens; it is commonly formulated in combination with other fungicides in commercial products. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.06
    methanol 19.78
    isopropanol 15.31
    water 0.01
    ethyl acetate 34.43
    n-propanol 21.06
    acetone 26.12
    n-butanol 19.42
    acetonitrile 32.85
    DMF 10.35
    toluene 16.78
    isobutanol 14.44
    1,4-dioxane 39.25
    methyl acetate 32.08
    THF 64.8
    2-butanone 46.44
    n-pentanol 20.13
    sec-butanol 19.36
    n-hexane 0.21
    ethylene glycol 9.21
    NMP 11.04
    cyclohexane 0.75
    DMSO 26.4
    n-butyl acetate 17.41
    n-octanol 6.1
    chloroform 109.92
    n-propyl acetate 23.91
    acetic acid 29.15
    dichloromethane 112.33
    cyclohexanone 37.49
    propylene glycol 13.07
    isopropyl acetate 21.69
    DMAc 41.96
    2-ethoxyethanol 59.35
    isopentanol 18.14
    n-heptane 0.59
    ethyl formate 19.78
    1,2-dichloroethane 38.9
    n-hexanol 11.88
    2-methoxyethanol 56.34
    isobutyl acetate 16.08
    tetrachloromethane 3.88
    n-pentyl acetate 16.32
    transcutol 163.01
    n-heptanol 8.39
    ethylbenzene 7.83
    MIBK 21.66
    2-propoxyethanol 41.69
    tert-butanol 12.98
    MTBE 13.26
    2-butoxyethanol 30.56
    propionic acid 17.91
    o-xylene 8.08
    formic acid 16.46
    diethyl ether 14.1
    m-xylene 7.39
    p-xylene 9.06
    chlorobenzene 17.97
    dimethyl carbonate 14.35
    n-octane 0.23
    formamide 29.11
    cyclopentanone 28.85
    2-pentanone 28.05
    anisole 28.19
    cyclopentyl methyl ether 14.68
    gamma-butyrolactone 28.5
    1-methoxy-2-propanol 43.25
    pyridine 60.55
    3-pentanone 23.74
    furfural 43.04
    n-dodecane 0.39
    diethylene glycol 43.4
    diisopropyl ether 3.64
    tert-amyl alcohol 15.22
    acetylacetone 36.36
    n-hexadecane 0.46
    acetophenone 29.76
    methyl propionate 24.75
    isopentyl acetate 19.13
    trichloroethylene 95.2
    n-nonanol 7.44
    cyclohexanol 15.37
    benzyl alcohol 30.78
    2-ethylhexanol 8.71
    isooctanol 8.39
    dipropyl ether 11.12
    1,2-dichlorobenzene 16.68
    ethyl lactate 20.33
    propylene carbonate 22.17
    n-methylformamide 13.52
    2-pentanol 11.83
    n-pentane 0.28
    1-propoxy-2-propanol 30.45
    1-methoxy-2-propyl acetate 34.54
    2-(2-methoxypropoxy) propanol 43.27
    mesitylene 3.76
    ε-caprolactone 34.5
    p-cymene 6.17
    epichlorohydrin 75.45
    1,1,1-trichloroethane 24.11
    2-aminoethanol 17.89
    morpholine-4-carbaldehyde 29.18
    sulfolane 24.47
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 29.91
    n-hexyl acetate 16.67
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 52.72
    sec-butyl acetate 18.42
    tert-butyl acetate 18.9
    decalin 0.63
    glycerin 21.03
    diglyme 87.16
    acrylic acid 18.89
    isopropyl myristate 9.42
    n-butyric acid 25.8
    acetyl acetate 23.5
    di(2-ethylhexyl) phthalate 13.62
    ethyl propionate 21.7
    nitromethane 43.55
    1,2-diethoxyethane 38.57
    benzonitrile 27.82
    trioctyl phosphate 7.42
    1-bromopropane 18.78
    gamma-valerolactone 52.96
    n-decanol 5.98
    triethyl phosphate 13.13
    4-methyl-2-pentanol 8.44
    propionitrile 29.64
    vinylene carbonate 25.53
    1,1,2-trichlorotrifluoroethane 61.51
    DMS 20.56
    cumene 5.29
    2-octanol 5.45
    2-hexanone 26.97
    octyl acetate 11.79
    limonene 6.88
    1,2-dimethoxyethane 62.29
    ethyl orthosilicate 12.46
    tributyl phosphate 9.52
    diacetone alcohol 29.39
    N,N-dimethylaniline 14.22
    acrylonitrile 36.73
    aniline 23.23
    1,3-propanediol 27.75
    bromobenzene 18.8
    dibromomethane 51.16
    1,1,2,2-tetrachloroethane 56.13
    2-methyl-cyclohexyl acetate 20.31
    tetrabutyl urea 14.25
    diisobutyl methanol 6.36
    2-phenylethanol 25.17
    styrene 9.91
    dioctyl adipate 17.86
    dimethyl sulfate 14.57
    ethyl butyrate 19.84
    methyl lactate 22.21
    butyl lactate 19.25
    diethyl carbonate 17.3
    propanediol butyl ether 26.16
    triethyl orthoformate 17.35
    p-tert-butyltoluene 5.15
    methyl 4-tert-butylbenzoate 24.25
    morpholine 45.65
    tert-butylamine 5.5
    n-dodecanol 4.62
    dimethoxymethane 29.73
    ethylene carbonate 20.41
    cyrene 39.0
    2-ethoxyethyl acetate 36.82
    2-ethylhexyl acetate 14.36
    1,2,4-trichlorobenzene 23.1
    4-methylpyridine 30.72
    dibutyl ether 9.63
    2,6-dimethyl-4-heptanol 6.36
    DEF 18.19
    dimethyl isosorbide 55.58
    tetrachloroethylene 30.99
    eugenol 29.93
    triacetin 31.37
    span 80 25.82
    1,4-butanediol 15.19
    1,1-dichloroethane 33.08
    2-methyl-1-pentanol 19.3
    methyl formate 12.06
    2-methyl-1-butanol 17.27
    n-decane 0.54
    butyronitrile 27.33
    3,7-dimethyl-1-octanol 8.68
    1-chlorooctane 3.29
    1-chlorotetradecane 1.77
    n-nonane 0.37
    undecane 0.45
    tert-butylcyclohexane 0.53
    cyclooctane 0.23
    cyclopentanol 13.48
    tetrahydropyran 33.41
    tert-amyl methyl ether 13.07
    2,5,8-trioxanonane 68.34
    1-hexene 2.13
    2-isopropoxyethanol 38.38
    2,2,2-trifluoroethanol 13.37
    methyl butyrate 24.0

    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