Benzeneacetic acid, alpha-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (alphaE)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    141517-21-7

    Molecular formula
    C20H19F3N2O4

    SMILES
    C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 49.95%
    Grape 39.03%
    Sweet 38.03%
    Fruity 31.5%
    Neroli 28.7%
    Citrus 28.17%
    Fresh 27.68%
    Odorless 25.68%
    Powdery 24.8%
    Grapefruit 24.31%

     

    Flavor
    Bitter 62.4%
    Odorless 33.21%
    Bland 23.57%
    Fruity 22.63%
    Mild 21.26%
    Orange flower 19.56%
    Broom 19.46%
    Heather 19.42%
    Sweet-like 19.34%
    Nitrile 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    4.52 (weak acid)

    Molecular weight
    408.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 72.9 °C

    Boiling point

    • approximately 312 °C

    Flash point

    • 175.92 ˚C est.
    • >70.00 °C (>158.00 °F)

    Solubility expt.

    • In water, 0.610 mg/L at 25 °C
    • In acetone, dichloromethane and ethyl acetate >500, hexane 11, methanol 76, octanol 18, toluene 500 (all in g/L, 25 °C)

  • Synonyms

    • Trifloxystrobin
    • 141517-21-7
    • Benzeneacetic acid, alpha-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (alphaE)-
    • CHEBI:81833
    • methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
    • methyl (2E)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
    • CGA 279202
    • Trifloxystrobin (Standard)
    • SCHEMBL19148
    • SCHEMBL9880011
    • CHEMBL1897483
    • DTXSID701024921
    • Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-
    • MSK21206
    • AKOS030621531
    • HY-123230R
    • NCGC00163847-01
    • NCGC00163847-02
    • NCGC00163847-03
    • AS-76139
    • HY-123230
    • CS-0082159
    • C18562
    • EN300-6486651
    • A807769
    • Trifloxystrobin, PESTANAL(R), analytical standard
    • (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid methyl ester
    • methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate
    • methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate
    • methyl (2E)-2-(methoxyimino)-2-[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate
    • methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanoate
    • Methyl (2Z)-(methoxyimino)[2-({[(Z)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate
    • methyl (alphaE)-alpha-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate
    • Methyl (E)-alpha-methoxyimino-2-[(E)-1-(3-trifluoromethylphenyl)ethylidenaminooxymethyl]phenylacetate
    • methyl (E)-methoxyimino-{(E)-alpha-[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylideneaminooxy]-o-tolyl}acetate
    • Methyl methoxyimino(alpha-(1-(alpha,alpha,alpha-trifluoro-3-tolyl)ethylideneaminooxy)-2-tolyl)acetate

  • Applications

    Chemical name: Benzeneacetic acid, alpha-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (alphaE)-; CAS number: 141517-21-7. It is primarily used as an intermediate in organic synthesis, notably as a chiral building block in the development of agrochemicals and pharmaceutical compounds. The oxime ester functionality and the fluorinated aryl moiety enable it to serve as a versatile precursor in multi-step syntheses, including pathways to herbicides/fungicides and active pharmaceutical ingredients. It is also encountered as a specialty intermediate in coatings/inks formulations and in fluorinated polymer systems, where such aryl oxime derivatives are valued for their reactivity and compatibility. In practice, its use is typically confined to controlled synthesis environments within industrial manufacturing settings, and it is handled under applicable chemical regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.25
    methanol 15.0
    isopropanol 7.03
    water 0.0
    ethyl acetate 24.32
    n-propanol 10.85
    acetone 57.43
    n-butanol 9.36
    acetonitrile 21.82
    DMF 31.79
    toluene 36.76
    isobutanol 6.66
    1,4-dioxane 56.61
    methyl acetate 30.18
    THF 130.02
    2-butanone 49.44
    n-pentanol 11.17
    sec-butanol 9.67
    n-hexane 1.12
    ethylene glycol 1.48
    NMP 58.22
    cyclohexane 3.24
    DMSO 88.18
    n-butyl acetate 12.63
    n-octanol 5.85
    chloroform 87.95
    n-propyl acetate 17.63
    acetic acid 19.18
    dichloromethane 102.03
    cyclohexanone 73.53
    propylene glycol 1.86
    isopropyl acetate 15.09
    DMAc 66.28
    2-ethoxyethanol 24.89
    isopentanol 8.52
    n-heptane 1.06
    ethyl formate 14.9
    1,2-dichloroethane 60.18
    n-hexanol 8.33
    2-methoxyethanol 27.08
    isobutyl acetate 8.36
    tetrachloromethane 6.51
    n-pentyl acetate 14.44
    transcutol 40.13
    n-heptanol 6.4
    ethylbenzene 14.68
    MIBK 16.29
    2-propoxyethanol 24.1
    tert-butanol 9.22
    MTBE 13.36
    2-butoxyethanol 17.6
    propionic acid 10.01
    o-xylene 17.89
    formic acid 7.72
    diethyl ether 23.14
    m-xylene 14.39
    p-xylene 15.96
    chlorobenzene 26.03
    dimethyl carbonate 12.52
    n-octane 0.78
    formamide 16.94
    cyclopentanone 85.1
    2-pentanone 31.37
    anisole 26.88
    cyclopentyl methyl ether 27.17
    gamma-butyrolactone 62.76
    1-methoxy-2-propanol 16.65
    pyridine 77.55
    3-pentanone 30.99
    furfural 52.66
    n-dodecane 0.74
    diethylene glycol 13.96
    diisopropyl ether 5.01
    tert-amyl alcohol 10.13
    acetylacetone 44.76
    n-hexadecane 0.87
    acetophenone 28.72
    methyl propionate 22.08
    isopentyl acetate 10.76
    trichloroethylene 109.42
    n-nonanol 6.79
    cyclohexanol 12.47
    benzyl alcohol 22.07
    2-ethylhexanol 5.73
    isooctanol 5.33
    dipropyl ether 11.14
    1,2-dichlorobenzene 21.37
    ethyl lactate 8.13
    propylene carbonate 20.11
    n-methylformamide 17.44
    2-pentanol 5.85
    n-pentane 1.27
    1-propoxy-2-propanol 13.32
    1-methoxy-2-propyl acetate 17.5
    2-(2-methoxypropoxy) propanol 19.8
    mesitylene 6.75
    ε-caprolactone 42.01
    p-cymene 5.98
    epichlorohydrin 97.62
    1,1,1-trichloroethane 36.22
    2-aminoethanol 4.05
    morpholine-4-carbaldehyde 45.95
    sulfolane 74.67
    2,2,4-trimethylpentane 0.75
    2-methyltetrahydrofuran 52.09
    n-hexyl acetate 15.11
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 24.21
    sec-butyl acetate 11.48
    tert-butyl acetate 17.23
    decalin 1.49
    glycerin 3.42
    diglyme 47.39
    acrylic acid 10.05
    isopropyl myristate 7.69
    n-butyric acid 12.84
    acetyl acetate 19.82
    di(2-ethylhexyl) phthalate 9.57
    ethyl propionate 15.99
    nitromethane 52.98
    1,2-diethoxyethane 23.31
    benzonitrile 22.69
    trioctyl phosphate 5.92
    1-bromopropane 28.89
    gamma-valerolactone 80.36
    n-decanol 5.38
    triethyl phosphate 7.7
    4-methyl-2-pentanol 3.99
    propionitrile 17.89
    vinylene carbonate 20.43
    1,1,2-trichlorotrifluoroethane 39.05
    DMS 15.17
    cumene 7.25
    2-octanol 4.54
    2-hexanone 27.7
    octyl acetate 10.24
    limonene 7.66
    1,2-dimethoxyethane 54.42
    ethyl orthosilicate 7.44
    tributyl phosphate 6.92
    diacetone alcohol 18.26
    N,N-dimethylaniline 16.69
    acrylonitrile 23.3
    aniline 23.45
    1,3-propanediol 7.8
    bromobenzene 27.79
    dibromomethane 62.89
    1,1,2,2-tetrachloroethane 73.1
    2-methyl-cyclohexyl acetate 12.86
    tetrabutyl urea 13.4
    diisobutyl methanol 3.61
    2-phenylethanol 18.5
    styrene 17.19
    dioctyl adipate 12.77
    dimethyl sulfate 19.7
    ethyl butyrate 13.06
    methyl lactate 8.45
    butyl lactate 9.03
    diethyl carbonate 8.44
    propanediol butyl ether 9.37
    triethyl orthoformate 10.18
    p-tert-butyltoluene 5.43
    methyl 4-tert-butylbenzoate 20.84
    morpholine 52.29
    tert-butylamine 4.88
    n-dodecanol 4.16
    dimethoxymethane 38.66
    ethylene carbonate 15.88
    cyrene 24.53
    2-ethoxyethyl acetate 24.02
    2-ethylhexyl acetate 9.26
    1,2,4-trichlorobenzene 26.46
    4-methylpyridine 56.1
    dibutyl ether 9.52
    2,6-dimethyl-4-heptanol 3.61
    DEF 29.12
    dimethyl isosorbide 34.56
    tetrachloroethylene 46.85
    eugenol 20.45
    triacetin 18.02
    span 80 14.76
    1,4-butanediol 4.3
    1,1-dichloroethane 37.94
    2-methyl-1-pentanol 10.7
    methyl formate 16.84
    2-methyl-1-butanol 8.93
    n-decane 1.21
    butyronitrile 16.05
    3,7-dimethyl-1-octanol 5.72
    1-chlorooctane 5.26
    1-chlorotetradecane 2.59
    n-nonane 0.96
    undecane 0.93
    tert-butylcyclohexane 1.02
    cyclooctane 1.03
    cyclopentanol 12.88
    tetrahydropyran 50.45
    tert-amyl methyl ether 13.23
    2,5,8-trioxanonane 39.19
    1-hexene 6.39
    2-isopropoxyethanol 16.77
    2,2,2-trifluoroethanol 6.19
    methyl butyrate 20.09

    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