Cyhalofop-butyl

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  • Identifiers

    CAS number
    122008-85-9

    Molecular formula
    C20H20FNO4

    SMILES
    CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Vanilla 50.53%
    Sweet 45.07%
    Floral 37.14%
    Powdery 31.01%
    Creamy 30.47%
    Spicy 27.62%
    Odorless 26.53%
    Balsamic 26.48%
    Milky 26.23%
    Fruity 25.77%

     

    Flavor
    Bitter 79.45%
    Odorless 33.52%
    Bland 30.18%
    Mild 21.48%
    Sweet-like 20.84%
    Parsley 19.83%
    Ethyl benzoate 19.37%
    Orange flower 19.28%
    Heather 19.1%
    Cedarleaf 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.98 (neutral)

    Molecular weight
    357.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 49.5 °C

    Boiling point

    • >270 °C (decomposes)

    Flash point

    • 151.26 ˚C est.
    • 122 °C (closed cup) /from table/
    • 255 °C (open cup) /from table/

    Solubility expt.

    • Solubility (g/L at 20 °C): >250 in acetonitrile, dichloroethane, methanol; acetone, ethyl acetate; 6.06 in n-heptane; 16.0 in n-octanol
    • Solubility in water (mg/L at 20 °C): 0.44 (unbuffered); 0.46 (pH 5); 0.44 (pH 7)

  • Synonyms

    • Cyhalofop-butyl
    • 122008-85-9
    • Clincher
    • Cyhalofop butyl ester
    • XDE 537
    • 18HGV9OC6G
    • DTXSID1034503
    • XDE-537
    • butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate
    • Propanoic acid, 2-(4-(4-cyano-2-fluorophenoxy)phenoxy)-, butyl ester, (2R)-
    • DTXCID9014503
    • (2R)-2-(4-(4-cyano-2-fluorophenoxy)-phenoxy)propanic acid butylester
    • (2R)-2-(4-(4-Cyano-2-fluorophenoxy)phenoxy)propanoic acid butyl ester
    • (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid butyl ester
    • Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-
    • butyl (2R)-2-(4-(4-cyano-2-fluorophenoxy)phenoxy)propanoate
    • RefChem:130065
    • 601-817-0
    • Cyhalofop-butyl [ISO]
    • MFCD01631151
    • Cyhalofop Butyl
    • Cyhalofop-butyl 10 microg/mL in Cyclohexane
    • HSDB 7272
    • UNII-18HGV9OC6G
    • Clincher; Clincher CA;XDE 537
    • CCRIS 9267
    • (R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propionic Acid Butyl Ester
    • SCHEMBL56020
    • CYHALOFOP-BUTYL [MI]
    • CYHALOFOP-BUTYL [HSDB]
    • orb1705895
    • orb3025731
    • CHEMBL1900438
    • CHEBI:81863
    • TYIYMOAHACZAMQ-CQSZACIVSA-N
    • Butyl (R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propionate
    • butyl (2R)-2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate
    • HY-B0861
    • MSK22236
    • Tox21_301029
    • AKOS015889006
    • NCGC00168299-01
    • NCGC00168299-02
    • NCGC00254931-01
    • BS-21239
    • C2417
    • CAS-122008-85-9
    • CS-0012875
    • NS00008915
    • C18607
    • 008C859
    • A804822
    • Cyhalofop-butyl, PESTANAL(R), analytical standard
    • Q27155630
    • butyl (2R)-2-[4-(4-cyano-2-fluoranyl-phenoxy)phenoxy]propanoate
    • 122008-85-9

  • Applications

    Cyhalofop-butyl (CAS 122008-85-9) is primarily used as a selective herbicide in agriculture, especially for rice production, where it targets monocot weeds and helps manage weed pressure in paddies; it is commonly formulated as an active ingredient in post-emergence crop protection products and applied as a foliar spray in rice fields; it is available in several formulations (emulsifiable concentrate, suspension concentrate, or water-dispersible granule) and is frequently used in tank-mix programs with adjuvants to improve uptake; use is governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 119.59
    methanol 211.91
    isopropanol 63.42
    water 2.62
    ethyl acetate 506.81
    n-propanol 83.92
    acetone 830.36
    n-butanol 56.12
    acetonitrile 899.94
    DMF 316.12
    toluene 136.19
    isobutanol 46.99
    1,4-dioxane 364.02
    methyl acetate 552.11
    THF 647.76
    2-butanone 391.31
    n-pentanol 66.74
    sec-butanol 66.28
    n-hexane 8.11
    ethylene glycol 51.74
    NMP 274.03
    cyclohexane 28.29
    DMSO 1150.24
    n-butyl acetate 138.53
    n-octanol 39.86
    chloroform 922.36
    n-propyl acetate 243.23
    acetic acid 577.78
    dichloromethane 1629.99
    cyclohexanone 403.4
    propylene glycol 31.22
    isopropyl acetate 198.87
    DMAc 506.35
    2-ethoxyethanol 227.92
    isopentanol 46.61
    n-heptane 9.66
    ethyl formate 257.41
    1,2-dichloroethane 824.29
    n-hexanol 41.17
    2-methoxyethanol 239.28
    isobutyl acetate 97.99
    tetrachloromethane 86.31
    n-pentyl acetate 113.85
    transcutol 454.8
    n-heptanol 37.48
    ethylbenzene 66.47
    MIBK 98.38
    2-propoxyethanol 124.82
    tert-butanol 77.3
    MTBE 94.15
    2-butoxyethanol 106.48
    propionic acid 204.46
    o-xylene 73.28
    formic acid 262.79
    diethyl ether 173.69
    m-xylene 58.27
    p-xylene 93.04
    chlorobenzene 199.39
    dimethyl carbonate 258.36
    n-octane 6.97
    formamide 610.93
    cyclopentanone 520.03
    2-pentanone 224.34
    anisole 159.77
    cyclopentyl methyl ether 151.02
    gamma-butyrolactone 692.24
    1-methoxy-2-propanol 123.54
    pyridine 519.37
    3-pentanone 240.03
    furfural 523.66
    n-dodecane 6.29
    diethylene glycol 128.43
    diisopropyl ether 40.21
    tert-amyl alcohol 67.27
    acetylacetone 517.75
    n-hexadecane 7.18
    acetophenone 208.87
    methyl propionate 325.53
    isopentyl acetate 100.83
    trichloroethylene 1222.95
    n-nonanol 40.65
    cyclohexanol 84.95
    benzyl alcohol 127.75
    2-ethylhexanol 31.53
    isooctanol 31.71
    dipropyl ether 69.76
    1,2-dichlorobenzene 181.24
    ethyl lactate 101.56
    propylene carbonate 317.9
    n-methylformamide 291.72
    2-pentanol 38.7
    n-pentane 6.91
    1-propoxy-2-propanol 78.31
    1-methoxy-2-propyl acetate 144.46
    2-(2-methoxypropoxy) propanol 116.43
    mesitylene 33.35
    ε-caprolactone 308.15
    p-cymene 31.57
    epichlorohydrin 818.55
    1,1,1-trichloroethane 442.59
    2-aminoethanol 66.9
    morpholine-4-carbaldehyde 319.34
    sulfolane 567.39
    2,2,4-trimethylpentane 4.73
    2-methyltetrahydrofuran 266.13
    n-hexyl acetate 123.54
    isooctane 2.71
    2-(2-butoxyethoxy)ethanol 141.8
    sec-butyl acetate 127.74
    tert-butyl acetate 159.11
    decalin 10.13
    glycerin 60.57
    diglyme 360.22
    acrylic acid 247.6
    isopropyl myristate 53.33
    n-butyric acid 200.41
    acetyl acetate 501.07
    di(2-ethylhexyl) phthalate 58.85
    ethyl propionate 208.2
    nitromethane 1715.22
    1,2-diethoxyethane 193.01
    benzonitrile 222.37
    trioctyl phosphate 39.72
    1-bromopropane 210.98
    gamma-valerolactone 513.12
    n-decanol 32.05
    triethyl phosphate 75.64
    4-methyl-2-pentanol 24.54
    propionitrile 301.31
    vinylene carbonate 323.83
    1,1,2-trichlorotrifluoroethane 383.8
    DMS 202.83
    cumene 35.89
    2-octanol 28.09
    2-hexanone 177.71
    octyl acetate 71.9
    limonene 38.19
    1,2-dimethoxyethane 357.37
    ethyl orthosilicate 62.96
    tributyl phosphate 53.47
    diacetone alcohol 129.69
    N,N-dimethylaniline 78.39
    acrylonitrile 433.24
    aniline 123.34
    1,3-propanediol 90.66
    bromobenzene 233.71
    dibromomethane 779.83
    1,1,2,2-tetrachloroethane 707.64
    2-methyl-cyclohexyl acetate 88.79
    tetrabutyl urea 71.21
    diisobutyl methanol 22.88
    2-phenylethanol 82.34
    styrene 97.4
    dioctyl adipate 101.41
    dimethyl sulfate 349.83
    ethyl butyrate 140.55
    methyl lactate 128.47
    butyl lactate 79.84
    diethyl carbonate 124.72
    propanediol butyl ether 76.14
    triethyl orthoformate 86.03
    p-tert-butyltoluene 26.75
    methyl 4-tert-butylbenzoate 121.06
    morpholine 293.5
    tert-butylamine 36.5
    n-dodecanol 26.55
    dimethoxymethane 331.2
    ethylene carbonate 273.18
    cyrene 133.49
    2-ethoxyethyl acetate 220.36
    2-ethylhexyl acetate 80.8
    1,2,4-trichlorobenzene 198.93
    4-methylpyridine 296.91
    dibutyl ether 68.99
    2,6-dimethyl-4-heptanol 22.88
    DEF 205.12
    dimethyl isosorbide 191.35
    tetrachloroethylene 456.66
    eugenol 119.1
    triacetin 219.7
    span 80 81.21
    1,4-butanediol 61.34
    1,1-dichloroethane 479.3
    2-methyl-1-pentanol 57.3
    methyl formate 347.28
    2-methyl-1-butanol 46.75
    n-decane 10.04
    butyronitrile 196.76
    3,7-dimethyl-1-octanol 35.99
    1-chlorooctane 37.7
    1-chlorotetradecane 18.16
    n-nonane 9.03
    undecane 7.63
    tert-butylcyclohexane 6.7
    cyclooctane 7.94
    cyclopentanol 98.52
    tetrahydropyran 272.7
    tert-amyl methyl ether 74.39
    2,5,8-trioxanonane 250.49
    1-hexene 34.85
    2-isopropoxyethanol 131.7
    2,2,2-trifluoroethanol 281.62
    methyl butyrate 239.73

    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