Fluoxastrobin

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  • Identifiers

    CAS number
    361377-29-9

    Molecular formula
    C21H16ClFN4O5

    SMILES
    CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 34.68%
    Sweet 24.48%
    Roasted 22.7%
    Fruity 22.62%
    Floral 22.4%
    Vanilla 21.69%
    Savory 20.73%
    Meaty 20.58%
    Fresh 19.37%
    Cooked 19.17%

     

    Flavor
    Bitter 89.4%
    Odorless 26.66%
    Bland 25.22%
    Sweet-like 20.12%
    Cedarleaf 19.05%
    Bread crust 18.67%
    Parsley 18.61%
    Scallion 18.51%
    Very strong 18.24%
    Indole 18.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    5.27 (weak acid)

    Molecular weight
    458.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    672°C

    Melting point expt.

    • 103-108 °C
    • White, crystalline soild ... insoluble in water (0.0023 g/L in water at pH 7) ... highly soluble in dichloromethane, polyethylene glycol 400, acetone, ethyl acetate, acetonitrile, and dimethylsulfoxide ... mp: 103-105 °C ... log Kow = 2.85 at 20 °C. It does not dissociated in water at pH 4 to 9 ... vapor pressure = 5.63X10-10 Pa /SRC: 4.22X10-12 mm Hg/ at 20 °C /Technical/

    Flash point

    • 193.61 ˚C est.

    Solubility expt.

    • Solubilities (20 °C, g/L): dichloromethane >250; xylene 38.1; isopropanol 6.7; n-heptane 0.04
    • In water, 2.56 mg/L at 20 °C, unbuffered
    • In water, 2.29 mg/L at 20 °C (pH 7)

  • Synonyms

    • Fluoxastrobin
    • 361377-29-9
    • HEC 480 SC
    • XQ43WY091Y
    • DTXSID2034625
    • (1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime
    • HEC-480SC
    • DTXCID0014625
    • CHEBI:83253
    • (1E)-[2-[[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-Methyloxime
    • RefChem:141001
    • ((2-((6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylidene)(methoxy)amine
    • Disarm
    • Fluoxastrobin [ISO]
    • 193740-76-0
    • (E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
    • HEC 5725
    • Fluoxastrobin (E,Z isomer)
    • (E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
    • C21H16ClFN4O5
    • UNII-XQ43WY091Y
    • Fluoxatrobin
    • E-Fluoxastrobin
    • MFCD11501055
    • HSDB 7880
    • Fluoxastrobin 10 microg/mL in Acetonitrile
    • FLUOXASTROBIN [MI]
    • SCHEMBL18719
    • CHEMBL1902591
    • SCHEMBL29368722
    • SCHEMBL29376563
    • GLXC-03429
    • (E)-1-[2-[6-(2-chlorophenoxy)-5-fluoro-pyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxy-methanimine
    • MSK21159
    • Tox21_300824
    • AKOS015909404
    • FC23493
    • NCGC00168310-01
    • NCGC00168310-02
    • NCGC00254728-01
    • DA-59721
    • CAS-361377-29-9
    • NS00008659
    • Fluoxastrobin, PESTANAL(R), analytical standard
    • Q15632878
    • (E)-(2-(6-(2-CHLOROPHENOXY)-5-FLUOROPYRIMIDIN-4-YLOXY)PHENYL)(5,6-DIHYDRO-1,4,2-DIOXAZIN-3-YL)METHANONE O-METHYLOXIME
    • 361377-29-9

  • Applications

    Fluoxastrobin is used in agriculture as a systemic fungicide to protect crops from fungal diseases; it is formulated in products such as suspension concentrates and wettable powders and applied as seed treatments or foliar sprays to protect a range of crops including cereals, fruits, vegetables, and ornamentals; as an active ingredient in commercial agrochemical formulations, it supports both field and greenhouse applications and is commonly integrated into crop protection programs under local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.62
    methanol 9.71
    isopropanol 5.6
    water 0.06
    ethyl acetate 76.19
    n-propanol 8.25
    acetone 69.44
    n-butanol 7.45
    acetonitrile 62.38
    DMF 23.33
    toluene 53.69
    isobutanol 5.55
    1,4-dioxane 53.52
    methyl acetate 65.27
    THF 124.13
    2-butanone 63.19
    n-pentanol 7.42
    sec-butanol 7.88
    n-hexane 1.04
    ethylene glycol 4.48
    NMP 75.23
    cyclohexane 5.93
    DMSO 75.01
    n-butyl acetate 19.9
    n-octanol 4.49
    chloroform 165.85
    n-propyl acetate 28.8
    acetic acid 63.02
    dichloromethane 252.67
    cyclohexanone 97.75
    propylene glycol 3.96
    isopropyl acetate 31.88
    DMAc 71.91
    2-ethoxyethanol 21.11
    isopentanol 6.51
    n-heptane 1.84
    ethyl formate 35.95
    1,2-dichloroethane 117.54
    n-hexanol 6.08
    2-methoxyethanol 28.17
    isobutyl acetate 11.9
    tetrachloromethane 19.59
    n-pentyl acetate 18.9
    transcutol 52.98
    n-heptanol 5.2
    ethylbenzene 15.05
    MIBK 16.36
    2-propoxyethanol 18.21
    tert-butanol 5.75
    MTBE 10.25
    2-butoxyethanol 15.15
    propionic acid 25.77
    o-xylene 24.43
    formic acid 23.72
    diethyl ether 19.98
    m-xylene 17.94
    p-xylene 19.78
    chlorobenzene 57.0
    dimethyl carbonate 35.86
    n-octane 0.95
    formamide 40.96
    cyclopentanone 108.97
    2-pentanone 39.58
    anisole 24.07
    cyclopentyl methyl ether 36.84
    gamma-butyrolactone 130.18
    1-methoxy-2-propanol 14.83
    pyridine 141.55
    3-pentanone 45.38
    furfural 130.39
    n-dodecane 0.93
    diethylene glycol 17.6
    diisopropyl ether 5.34
    tert-amyl alcohol 7.4
    acetylacetone 86.41
    n-hexadecane 1.1
    acetophenone 36.57
    methyl propionate 52.45
    isopentyl acetate 14.54
    trichloroethylene 281.57
    n-nonanol 5.27
    cyclohexanol 17.95
    benzyl alcohol 25.98
    2-ethylhexanol 6.23
    isooctanol 4.53
    dipropyl ether 11.23
    1,2-dichlorobenzene 43.73
    ethyl lactate 14.84
    propylene carbonate 64.45
    n-methylformamide 23.32
    2-pentanol 5.5
    n-pentane 1.37
    1-propoxy-2-propanol 11.8
    1-methoxy-2-propyl acetate 27.89
    2-(2-methoxypropoxy) propanol 18.93
    mesitylene 8.02
    ε-caprolactone 76.48
    p-cymene 8.23
    epichlorohydrin 182.63
    1,1,1-trichloroethane 90.48
    2-aminoethanol 6.31
    morpholine-4-carbaldehyde 53.76
    sulfolane 131.66
    2,2,4-trimethylpentane 0.94
    2-methyltetrahydrofuran 67.41
    n-hexyl acetate 16.37
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 25.29
    sec-butyl acetate 18.59
    tert-butyl acetate 21.66
    decalin 2.0
    glycerin 8.69
    diglyme 51.48
    acrylic acid 32.39
    isopropyl myristate 8.22
    n-butyric acid 30.13
    acetyl acetate 80.23
    di(2-ethylhexyl) phthalate 11.73
    ethyl propionate 32.92
    nitromethane 153.38
    1,2-diethoxyethane 24.77
    benzonitrile 46.28
    trioctyl phosphate 7.11
    1-bromopropane 40.11
    gamma-valerolactone 110.17
    n-decanol 4.59
    triethyl phosphate 13.52
    4-methyl-2-pentanol 3.26
    propionitrile 33.71
    vinylene carbonate 62.82
    1,1,2-trichlorotrifluoroethane 100.73
    DMS 35.08
    cumene 7.56
    2-octanol 3.69
    2-hexanone 26.87
    octyl acetate 11.53
    limonene 10.05
    1,2-dimethoxyethane 36.21
    ethyl orthosilicate 10.82
    tributyl phosphate 9.24
    diacetone alcohol 22.15
    N,N-dimethylaniline 14.42
    acrylonitrile 51.75
    aniline 44.69
    1,3-propanediol 10.57
    bromobenzene 69.97
    dibromomethane 122.46
    1,1,2,2-tetrachloroethane 154.62
    2-methyl-cyclohexyl acetate 16.33
    tetrabutyl urea 14.76
    diisobutyl methanol 3.53
    2-phenylethanol 20.3
    styrene 19.88
    dioctyl adipate 16.45
    dimethyl sulfate 52.93
    ethyl butyrate 22.99
    methyl lactate 22.08
    butyl lactate 13.85
    diethyl carbonate 19.32
    propanediol butyl ether 9.56
    triethyl orthoformate 15.42
    p-tert-butyltoluene 6.23
    methyl 4-tert-butylbenzoate 21.16
    morpholine 49.88
    tert-butylamine 3.42
    n-dodecanol 3.9
    dimethoxymethane 33.22
    ethylene carbonate 51.67
    cyrene 27.75
    2-ethoxyethyl acetate 35.51
    2-ethylhexyl acetate 13.18
    1,2,4-trichlorobenzene 64.29
    4-methylpyridine 77.13
    dibutyl ether 9.12
    2,6-dimethyl-4-heptanol 3.53
    DEF 39.46
    dimethyl isosorbide 38.74
    tetrachloroethylene 102.64
    eugenol 22.05
    triacetin 28.5
    span 80 14.54
    1,4-butanediol 5.29
    1,1-dichloroethane 78.25
    2-methyl-1-pentanol 8.13
    methyl formate 30.22
    2-methyl-1-butanol 7.25
    n-decane 1.29
    butyronitrile 23.39
    3,7-dimethyl-1-octanol 4.99
    1-chlorooctane 5.16
    1-chlorotetradecane 2.88
    n-nonane 1.09
    undecane 1.08
    tert-butylcyclohexane 1.04
    cyclooctane 1.95
    cyclopentanol 19.66
    tetrahydropyran 50.91
    tert-amyl methyl ether 11.41
    2,5,8-trioxanonane 40.67
    1-hexene 4.7
    2-isopropoxyethanol 13.96
    2,2,2-trifluoroethanol 32.1
    methyl butyrate 32.42

    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