Pyraflufen-ethyl

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  • Identifiers

    CAS number
    129630-19-9

    Molecular formula
    C15H13Cl2F3N2O4

    SMILES
    CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 57.37%
    Fruity 26.05%
    Musk 25.36%
    Milky 25.35%
    Grape 22.83%
    Powdery 21.6%
    Fatty 21.51%
    Vanilla 20.86%
    Savory 20.78%
    Sweet 20.09%

     

    Flavor
    Bitter 80.2%
    Odorless 46.91%
    Bland 34.66%
    Mild 26.31%
    Sweet-like 23.62%
    Very mild 20.6%
    Cedarleaf 19.08%
    Orange flower 19.02%
    Parsley 19.0%
    Nitrile 18.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    5.13 (weak acid)

    Molecular weight
    413.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    386°C

    Melting point expt.

    • 126-127 °C

    Flash point

    • 193.04 ˚C est.

    Solubility expt.

    • In xylene 41.7-43.5, acetone 167-182, methanol 7.39, ethyl acetate 105-111 (all in g/L, 20 °C)
    • In water, 8.2X10-2 mg/L at 20 °C

  • Synonyms

    • Pyraflufen-ethyl
    • 129630-19-9
    • Pyraflufen-ethyl [ISO:BSI]
    • ECOPART
    • Thunderbolt
    • UNII-XOC9Q2DLMI
    • XOC9Q2DLMI
    • DTXSID8034871
    • HSDB 7498
    • HERB 1
    • PYRAFLUFEN ETHYL ESTER
    • PYRAFLUFEN-ETHYL [ISO]
    • PYRAFLUFEN-ETHYL [HSDB]
    • Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester
    • DTXCID6014871
    • CHEBI:81828
    • ET 751
    • Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate
    • ethyl {2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate
    • Acetic acid, (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)-, ethyl ester
    • ACETIC ACID, 2-(2-CHLORO-5-(4-CHLORO-5-(DIFLUOROMETHOXY)-1-METHYL-1H-PYRAZOL-3-YL)-4-FLUOROPHENOXY)-, ETHYL ESTER
    • ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetate
    • ethyl 2-{2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate
    • ethyl (2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy)acetate
    • ethyl (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)acetate
    • Ethyl 2-(2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)acetate
    • ethyl 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxyacetate, ethyl (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)acetate
    • ethyl 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxyacetate, ethyl [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetate
    • Ethyl 2-chloro-5-
    • RefChem:177397
    • USEPA/OPP Pesticide Code: 030090
    • Ethyl 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxyace tate
    • 603-347-1
    • Acetic acid, (2chloro5(4chloro5(difluoromethoxy)1methyl1Hpyrazol3yl)4fluorophenoxy), ethyl ester
    • APTZNLHMIGJTEW-UHFFFAOYSA-N
    • ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
    • MFCD07363861
    • Pyraflufen-ethyl (Standard)
    • SCHEMBL53390
    • C15H13Cl2F3N2O4
    • CHEMBL1905010
    • SCHEMBL29480904
    • MSK22453
    • Tox21_300698
    • HY-126922R
    • NCGC00164464-01
    • NCGC00164464-03
    • NCGC00254606-01
    • MS-27140
    • HY-126922
    • CAS-129630-19-9
    • CS-0108277
    • NS00001488
    • C18554
    • H20675
    • Pyraflufen-ethyl, PESTANAL(R), analytical standard
    • Q2119649
    • ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-pyrazol-3-yl]-4-fluoro-phenoxy]acetate
    • 129630-19-9

  • Applications

    Pyraflufen-ethyl (CAS 129630-19-9) is used as an herbicidal active ingredient in agricultural formulations for post-emergence weed control. It is commonly applied in field crops and in tree crops, as well as for turf and landscape maintenance. Formulations are typically emulsifiable concentrates, suspension concentrates, or water-dispersible granules, often used in tank mixes with adjuvants or other herbicides to enhance efficacy. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.27
    methanol 66.44
    isopropanol 28.18
    water 0.18
    ethyl acetate 142.49
    n-propanol 43.19
    acetone 304.61
    n-butanol 32.13
    acetonitrile 158.57
    DMF 237.44
    toluene 26.86
    isobutanol 29.08
    1,4-dioxane 172.52
    methyl acetate 173.9
    THF 433.79
    2-butanone 153.43
    n-pentanol 33.36
    sec-butanol 33.47
    n-hexane 1.61
    ethylene glycol 17.23
    NMP 310.36
    cyclohexane 3.62
    DMSO 382.1
    n-butyl acetate 72.68
    n-octanol 15.77
    chloroform 137.84
    n-propyl acetate 111.88
    acetic acid 159.93
    dichloromethane 229.01
    cyclohexanone 159.2
    propylene glycol 13.86
    isopropyl acetate 74.22
    DMAc 402.58
    2-ethoxyethanol 135.93
    isopentanol 28.81
    n-heptane 2.34
    ethyl formate 90.77
    1,2-dichloroethane 140.15
    n-hexanol 21.35
    2-methoxyethanol 172.96
    isobutyl acetate 48.71
    tetrachloromethane 10.04
    n-pentyl acetate 52.77
    transcutol 181.95
    n-heptanol 16.98
    ethylbenzene 19.25
    MIBK 52.65
    2-propoxyethanol 105.93
    tert-butanol 38.37
    MTBE 54.84
    2-butoxyethanol 59.51
    propionic acid 60.34
    o-xylene 19.65
    formic acid 77.35
    diethyl ether 71.53
    m-xylene 13.76
    p-xylene 28.86
    chlorobenzene 37.95
    dimethyl carbonate 101.34
    n-octane 1.24
    formamide 163.6
    cyclopentanone 237.36
    2-pentanone 102.87
    anisole 91.53
    cyclopentyl methyl ether 99.33
    gamma-butyrolactone 311.5
    1-methoxy-2-propanol 93.43
    pyridine 158.13
    3-pentanone 95.79
    furfural 230.71
    n-dodecane 1.41
    diethylene glycol 91.3
    diisopropyl ether 15.17
    tert-amyl alcohol 41.26
    acetylacetone 202.7
    n-hexadecane 1.61
    acetophenone 109.81
    methyl propionate 124.1
    isopentyl acetate 55.44
    trichloroethylene 235.32
    n-nonanol 17.18
    cyclohexanol 35.95
    benzyl alcohol 67.09
    2-ethylhexanol 18.74
    isooctanol 14.98
    dipropyl ether 41.85
    1,2-dichlorobenzene 37.7
    ethyl lactate 56.3
    propylene carbonate 130.55
    n-methylformamide 132.68
    2-pentanol 19.71
    n-pentane 1.73
    1-propoxy-2-propanol 61.64
    1-methoxy-2-propyl acetate 96.18
    2-(2-methoxypropoxy) propanol 92.26
    mesitylene 7.99
    ε-caprolactone 145.01
    p-cymene 14.62
    epichlorohydrin 341.98
    1,1,1-trichloroethane 80.38
    2-aminoethanol 33.37
    morpholine-4-carbaldehyde 271.27
    sulfolane 315.69
    2,2,4-trimethylpentane 1.28
    2-methyltetrahydrofuran 192.38
    n-hexyl acetate 52.07
    isooctane 0.56
    2-(2-butoxyethoxy)ethanol 92.28
    sec-butyl acetate 61.73
    tert-butyl acetate 71.1
    decalin 1.97
    glycerin 31.1
    diglyme 191.81
    acrylic acid 68.48
    isopropyl myristate 25.91
    n-butyric acid 63.25
    acetyl acetate 122.75
    di(2-ethylhexyl) phthalate 32.31
    ethyl propionate 97.95
    nitromethane 515.23
    1,2-diethoxyethane 89.57
    benzonitrile 70.37
    trioctyl phosphate 19.17
    1-bromopropane 56.66
    gamma-valerolactone 281.49
    n-decanol 14.21
    triethyl phosphate 45.74
    4-methyl-2-pentanol 13.0
    propionitrile 82.78
    vinylene carbonate 117.76
    1,1,2-trichlorotrifluoroethane 194.46
    DMS 85.12
    cumene 12.6
    2-octanol 12.83
    2-hexanone 98.84
    octyl acetate 36.6
    limonene 19.14
    1,2-dimethoxyethane 263.96
    ethyl orthosilicate 38.23
    tributyl phosphate 26.02
    diacetone alcohol 74.9
    N,N-dimethylaniline 55.39
    acrylonitrile 120.66
    aniline 47.75
    1,3-propanediol 45.69
    bromobenzene 37.7
    dibromomethane 121.0
    1,1,2,2-tetrachloroethane 143.37
    2-methyl-cyclohexyl acetate 56.51
    tetrabutyl urea 49.81
    diisobutyl methanol 10.94
    2-phenylethanol 54.83
    styrene 25.25
    dioctyl adipate 49.1
    dimethyl sulfate 163.53
    ethyl butyrate 73.25
    methyl lactate 65.33
    butyl lactate 39.94
    diethyl carbonate 63.02
    propanediol butyl ether 41.07
    triethyl orthoformate 55.48
    p-tert-butyltoluene 11.97
    methyl 4-tert-butylbenzoate 70.3
    morpholine 184.01
    tert-butylamine 17.9
    n-dodecanol 11.35
    dimethoxymethane 224.61
    ethylene carbonate 99.04
    cyrene 119.18
    2-ethoxyethyl acetate 96.26
    2-ethylhexyl acetate 45.03
    1,2,4-trichlorobenzene 54.9
    4-methylpyridine 118.88
    dibutyl ether 27.73
    2,6-dimethyl-4-heptanol 10.94
    DEF 143.45
    dimethyl isosorbide 158.3
    tetrachloroethylene 84.32
    eugenol 74.63
    triacetin 90.86
    span 80 51.34
    1,4-butanediol 23.65
    1,1-dichloroethane 92.42
    2-methyl-1-pentanol 34.31
    methyl formate 140.38
    2-methyl-1-butanol 30.61
    n-decane 2.08
    butyronitrile 59.64
    3,7-dimethyl-1-octanol 15.88
    1-chlorooctane 10.86
    1-chlorotetradecane 5.35
    n-nonane 1.73
    undecane 1.7
    tert-butylcyclohexane 1.44
    cyclooctane 1.08
    cyclopentanol 56.27
    tetrahydropyran 115.51
    tert-amyl methyl ether 50.84
    2,5,8-trioxanonane 154.82
    1-hexene 11.57
    2-isopropoxyethanol 81.99
    2,2,2-trifluoroethanol 73.6
    methyl butyrate 116.65

    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