Picoxystrobin

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  • Identifiers

    CAS number
    117428-22-5

    Molecular formula
    C18H16F3NO4

    SMILES
    CO/C=C(\C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)/C(=O)OC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 41.84%
    Grape 36.04%
    Odorless 35.43%
    Sweet 34.23%
    Fresh 26.51%
    Neroli 26.48%
    Fruity 25.49%
    Citrus 23.72%
    Balsamic 22.8%
    Powdery 22.68%

     

    Flavor
    Bitter 74.61%
    Odorless 35.48%
    Bland 27.5%
    Mild 20.6%
    Sweet-like 19.99%
    Broom 19.62%
    Heather 19.56%
    Orange flower 19.36%
    Cedarleaf 19.02%
    Genet 18.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    4.33 (weak acid)

    Molecular weight
    367.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    386°C

    Flash point

    • 172.83 ˚C est.

  • Synonyms

    • Picoxystrobin
    • 117428-22-5
    • 62DH7GEL1P
    • DTXSID9047542
    • DTXCID7027542
    • CHEBI:83197
    • methyl (2E)-3-methoxy-2-(2-(6-(trifluoromethyl)-2-pyridyloxymethyl)phenyl)acrylate
    • methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate
    • methyl (alphaE)-alpha-(methoxymethylene)-2-(((6-(trifluoromethyl)-2-pyridinyl)oxy)methyl)benzeneacetate
    • methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate
    • RefChem:174175
    • Picoxystrobin [ISO]
    • Methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoate
    • (E)-Methyl 3-methoxy-2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acrylate
    • methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoate
    • Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-
    • Picoxystrobin 100 microg/mL in Acetonitrile
    • UNII-62DH7GEL1P
    • MFCD04112618
    • Picoxystrobin (Standard)
    • PICOXYSTROBIN [MI]
    • SCHEMBL18977
    • CHEMBL522759
    • orb1692471
    • SCHEMBL29377786
    • MSK21131
    • Tox21_300625
    • AKOS016011129
    • EBC-367043
    • HY-136355R
    • methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)-2-pyridyl]oxymethyl]phenyl]prop-2-enoate
    • NCGC00248112-01
    • NCGC00254335-01
    • AC-26782
    • AS-31050
    • Benzeneacetic acid, .alpha.-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (.alpha.E)-
    • FP102112
    • HY-136355
    • CAS-117428-22-5
    • CS-0128650
    • NS00001149
    • 428P225
    • (E)-methyl 2-[2-(6-trifluoromethylpyrid-2-yloxymethyl)phenyl]-3-methoxyacrylate
    • METHYL (.ALPHA.E)-.ALPHA.-(METHOXYMETHYLENE)-2-(((6-(TRIFLUOROMETHYL)-2-PYRIDINYL)OXY)METHYL)BENZENEACETATE
    • 117428-22-5

  • Applications

    Picoxystrobin (CAS 117428-22-5) is a systemic fungicide used in crop protection, primarily in agriculture, with typical applications on cereals (wheat, barley, maize), fruit crops (grapes, apples), vegetables (tomatoes, cucumbers), and ornamental plants, to control fungal diseases and support integrated pest management programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.85
    methanol 44.07
    isopropanol 15.0
    water 0.03
    ethyl acetate 57.71
    n-propanol 23.4
    acetone 91.87
    n-butanol 17.79
    acetonitrile 57.56
    DMF 23.75
    toluene 50.54
    isobutanol 12.52
    1,4-dioxane 71.01
    methyl acetate 57.15
    THF 165.89
    2-butanone 70.57
    n-pentanol 17.75
    sec-butanol 17.63
    n-hexane 0.81
    ethylene glycol 4.67
    NMP 48.01
    cyclohexane 2.91
    DMSO 98.89
    n-butyl acetate 17.93
    n-octanol 7.54
    chloroform 93.52
    n-propyl acetate 29.02
    acetic acid 46.3
    dichloromethane 134.19
    cyclohexanone 72.87
    propylene glycol 3.97
    isopropyl acetate 26.99
    DMAc 67.93
    2-ethoxyethanol 47.1
    isopentanol 15.12
    n-heptane 1.14
    ethyl formate 29.35
    1,2-dichloroethane 86.13
    n-hexanol 12.18
    2-methoxyethanol 59.69
    isobutyl acetate 11.55
    tetrachloromethane 6.76
    n-pentyl acetate 18.11
    transcutol 62.58
    n-heptanol 9.28
    ethylbenzene 17.41
    MIBK 21.1
    2-propoxyethanol 36.72
    tert-butanol 16.82
    MTBE 18.49
    2-butoxyethanol 26.83
    propionic acid 19.57
    o-xylene 22.65
    formic acid 24.96
    diethyl ether 35.87
    m-xylene 17.69
    p-xylene 19.01
    chlorobenzene 28.66
    dimethyl carbonate 20.47
    n-octane 0.69
    formamide 53.24
    cyclopentanone 87.04
    2-pentanone 44.55
    anisole 33.67
    cyclopentyl methyl ether 35.99
    gamma-butyrolactone 84.7
    1-methoxy-2-propanol 29.45
    pyridine 110.5
    3-pentanone 40.94
    furfural 69.76
    n-dodecane 0.78
    diethylene glycol 26.84
    diisopropyl ether 6.81
    tert-amyl alcohol 16.76
    acetylacetone 63.8
    n-hexadecane 0.9
    acetophenone 37.13
    methyl propionate 38.49
    isopentyl acetate 14.83
    trichloroethylene 126.3
    n-nonanol 8.31
    cyclohexanol 19.1
    benzyl alcohol 30.96
    2-ethylhexanol 7.69
    isooctanol 7.77
    dipropyl ether 13.04
    1,2-dichlorobenzene 21.85
    ethyl lactate 11.95
    propylene carbonate 28.66
    n-methylformamide 27.07
    2-pentanol 10.24
    n-pentane 1.2
    1-propoxy-2-propanol 17.87
    1-methoxy-2-propyl acetate 23.53
    2-(2-methoxypropoxy) propanol 24.24
    mesitylene 7.93
    ε-caprolactone 52.88
    p-cymene 8.15
    epichlorohydrin 138.73
    1,1,1-trichloroethane 40.46
    2-aminoethanol 11.15
    morpholine-4-carbaldehyde 47.06
    sulfolane 71.67
    2,2,4-trimethylpentane 0.7
    2-methyltetrahydrofuran 74.25
    n-hexyl acetate 18.22
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 30.89
    sec-butyl acetate 17.16
    tert-butyl acetate 23.37
    decalin 1.27
    glycerin 7.61
    diglyme 61.1
    acrylic acid 19.58
    isopropyl myristate 8.6
    n-butyric acid 26.38
    acetyl acetate 42.91
    di(2-ethylhexyl) phthalate 11.53
    ethyl propionate 25.65
    nitromethane 110.97
    1,2-diethoxyethane 30.91
    benzonitrile 32.75
    trioctyl phosphate 7.2
    1-bromopropane 35.39
    gamma-valerolactone 88.0
    n-decanol 6.58
    triethyl phosphate 9.95
    4-methyl-2-pentanol 6.09
    propionitrile 36.18
    vinylene carbonate 27.32
    1,1,2-trichlorotrifluoroethane 52.11
    DMS 20.39
    cumene 9.06
    2-octanol 6.0
    2-hexanone 33.41
    octyl acetate 11.84
    limonene 9.09
    1,2-dimethoxyethane 68.25
    ethyl orthosilicate 9.44
    tributyl phosphate 8.09
    diacetone alcohol 24.66
    N,N-dimethylaniline 20.35
    acrylonitrile 46.89
    aniline 37.91
    1,3-propanediol 19.46
    bromobenzene 29.45
    dibromomethane 79.2
    1,1,2,2-tetrachloroethane 80.05
    2-methyl-cyclohexyl acetate 16.36
    tetrabutyl urea 14.43
    diisobutyl methanol 4.64
    2-phenylethanol 26.83
    styrene 20.45
    dioctyl adipate 14.77
    dimethyl sulfate 24.16
    ethyl butyrate 17.64
    methyl lactate 13.89
    butyl lactate 12.35
    diethyl carbonate 13.6
    propanediol butyl ether 13.1
    triethyl orthoformate 12.74
    p-tert-butyltoluene 6.95
    methyl 4-tert-butylbenzoate 25.76
    morpholine 71.71
    tert-butylamine 8.52
    n-dodecanol 5.17
    dimethoxymethane 54.22
    ethylene carbonate 22.32
    cyrene 29.68
    2-ethoxyethyl acetate 32.41
    2-ethylhexyl acetate 12.31
    1,2,4-trichlorobenzene 28.72
    4-methylpyridine 69.14
    dibutyl ether 10.07
    2,6-dimethyl-4-heptanol 4.64
    DEF 32.32
    dimethyl isosorbide 43.54
    tetrachloroethylene 53.72
    eugenol 26.7
    triacetin 23.15
    span 80 16.61
    1,4-butanediol 8.37
    1,1-dichloroethane 50.48
    2-methyl-1-pentanol 16.99
    methyl formate 27.11
    2-methyl-1-butanol 15.35
    n-decane 1.18
    butyronitrile 29.73
    3,7-dimethyl-1-octanol 7.61
    1-chlorooctane 5.32
    1-chlorotetradecane 2.75
    n-nonane 0.93
    undecane 0.95
    tert-butylcyclohexane 0.92
    cyclooctane 0.92
    cyclopentanol 20.65
    tetrahydropyran 61.47
    tert-amyl methyl ether 16.76
    2,5,8-trioxanonane 48.75
    1-hexene 5.96
    2-isopropoxyethanol 27.21
    2,2,2-trifluoroethanol 14.28
    methyl butyrate 28.47

    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