Clodinafop-Propargyl

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  • Identifiers

    CAS number
    105512-06-9

    Molecular formula
    C17H13ClFNO4

    SMILES
    C[C@H](C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F

  • Odor profile

    Fragrance
    Odorless 40.47%
    Vanilla 28.86%
    Milky 25.47%
    Sweet 24.97%
    Floral 23.88%
    Roasted 23.68%
    Fruity 23.55%
    Powdery 23.45%
    Grape 23.45%
    Savory 23.04%

     

    Flavor
    Bitter 81.3%
    Odorless 42.43%
    Bland 32.54%
    Mild 21.74%
    Sweet-like 21.54%
    Very mild 21.11%
    Parsley 18.53%
    Orange flower 18.48%
    Cedarleaf 18.27%
    Nitrile 18.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.86 (neutral)

    Molecular weight
    349.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    404°C

    Flash point

    • 163.67 ˚C est.

  • Synonyms

    • Clodinafop-Propargyl
    • 105512-06-9
    • Topik
    • Clodinafop Propargyl
    • Clodinafop-propargyl [ISO]
    • Clodinafop-propargyl ester
    • QEH394TY6Y
    • prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate
    • DTXSID6032354
    • (R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester
    • Discover
    • prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate
    • Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-,2-propynyl ester, (2R)-
    • Clodinafop-propargyl ester 10 microg/mL in Acetonitrile
    • Clodinafop-propargyl ester 100 microg/mL in Acetonitrile
    • Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-
    • HSDB 7007
    • UNII-QEH394TY6Y
    • CGA 184927
    • Discover Herbicide
    • Clodinafop-proargyl
    • Propanoic acid, 2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)-, 2-propynyl ester, (2R)-
    • MFCD01632328
    • clodinafop propargyl ester
    • SCHEMBL63885
    • Clodinafop-propargyl (Standard)
    • CHEMBL1898102
    • DTXCID4012354
    • CLODINAFOP-PROPARGYL [MI]
    • CHEBI:132921
    • CLODINAFOP-PROPARGYL [HSDB]
    • DNDI1246788
    • Tox21_300724
    • 2-Propynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridinyloxy)phenoxy]propionate
    • AKOS015961771
    • AC-1858
    • CGA-184927
    • HY-136380R
    • KS-5120
    • Propanoic acid, 2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)-, 2-propynyl ester, (R)-
    • NCGC00164311-01
    • NCGC00164311-02
    • NCGC00164311-03
    • NCGC00254630-01
    • HY-136380
    • C3552
    • CAS-105512-06-9
    • CS-0128860
    • NS00000112
    • D89566
    • Q1102118
    • Clodinafop-propargyl ester 1000 microg/mL in Acetone
    • Clodinafop-propargyl, PESTANAL(R), analytical standard
    • prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate
    • 2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
    • 2-PROPYNYL (R)-2-(4-(5-CHLORO-3-FLUORO-2-PYRIDYLOXY)PHENOXY)PROPIONATE
    • (2R)-2-(4-((5-CHLORO-3-FLUORO-2-PYRIDINYL)OXY)PHENOXY)PROPANOIC ACID 2-PROPYN-1-YL ESTER
    • 126301-94-8

  • Applications

    Clodinafop-Propargyl (CAS 105512-06-9) is a selective herbicide in the aryloxyphenoxypropionate family used in cereal crop protection to control grassy weeds in crops such as wheat and other cereals; it functions as an acetyl-CoA carboxylase (ACCase) inhibitor in grasses, reducing weed competition and helping protect yields; it is commonly formulated and sold as the active ingredient in herbicide products (emulsifiable concentrates, water-dispersible granules, suspension concentrates, etc.) and supports integrated weed management programs in cereals; in addition, it is evaluated in agricultural R&D for efficacy, crop safety, resistance management, and formulation optimization; practical applications include use in crop protection product manufacturing and field spray applications, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.68
    methanol 187.55
    isopropanol 73.21
    water 3.68
    ethyl acetate 299.37
    n-propanol 100.27
    acetone 600.33
    n-butanol 76.61
    acetonitrile 598.81
    DMF 219.71
    toluene 51.01
    isobutanol 55.97
    1,4-dioxane 272.04
    methyl acetate 341.7
    THF 607.92
    2-butanone 296.31
    n-pentanol 84.35
    sec-butanol 84.17
    n-hexane 7.36
    ethylene glycol 53.42
    NMP 172.92
    cyclohexane 18.73
    DMSO 680.93
    n-butyl acetate 91.14
    n-octanol 31.0
    chloroform 221.02
    n-propyl acetate 150.42
    acetic acid 308.73
    dichloromethane 490.58
    cyclohexanone 217.21
    propylene glycol 28.15
    isopropyl acetate 109.96
    DMAc 402.43
    2-ethoxyethanol 265.9
    isopentanol 57.82
    n-heptane 11.85
    ethyl formate 185.16
    1,2-dichloroethane 267.13
    n-hexanol 41.25
    2-methoxyethanol 279.14
    isobutyl acetate 52.88
    tetrachloromethane 19.83
    n-pentyl acetate 59.49
    transcutol 327.87
    n-heptanol 32.05
    ethylbenzene 34.95
    MIBK 66.92
    2-propoxyethanol 116.61
    tert-butanol 69.66
    MTBE 82.89
    2-butoxyethanol 76.48
    propionic acid 103.15
    o-xylene 34.16
    formic acid 217.42
    diethyl ether 179.72
    m-xylene 24.43
    p-xylene 44.34
    chlorobenzene 53.43
    dimethyl carbonate 126.49
    n-octane 6.24
    formamide 445.94
    cyclopentanone 276.49
    2-pentanone 184.08
    anisole 92.15
    cyclopentyl methyl ether 133.0
    gamma-butyrolactone 339.59
    1-methoxy-2-propanol 139.37
    pyridine 241.99
    3-pentanone 165.04
    furfural 250.23
    n-dodecane 4.46
    diethylene glycol 115.12
    diisopropyl ether 29.53
    tert-amyl alcohol 72.13
    acetylacetone 273.76
    n-hexadecane 4.91
    acetophenone 105.64
    methyl propionate 200.86
    isopentyl acetate 57.27
    trichloroethylene 331.51
    n-nonanol 30.25
    cyclohexanol 80.5
    benzyl alcohol 78.81
    2-ethylhexanol 29.74
    isooctanol 24.44
    dipropyl ether 78.11
    1,2-dichlorobenzene 44.74
    ethyl lactate 64.87
    propylene carbonate 127.39
    n-methylformamide 214.82
    2-pentanol 49.9
    n-pentane 7.98
    1-propoxy-2-propanol 74.56
    1-methoxy-2-propyl acetate 90.9
    2-(2-methoxypropoxy) propanol 78.63
    mesitylene 14.09
    ε-caprolactone 177.22
    p-cymene 19.65
    epichlorohydrin 421.04
    1,1,1-trichloroethane 105.67
    2-aminoethanol 68.42
    morpholine-4-carbaldehyde 227.89
    sulfolane 230.08
    2,2,4-trimethylpentane 3.6
    2-methyltetrahydrofuran 238.22
    n-hexyl acetate 59.15
    isooctane 1.7
    2-(2-butoxyethoxy)ethanol 104.04
    sec-butyl acetate 78.29
    tert-butyl acetate 76.83
    decalin 5.56
    glycerin 55.73
    diglyme 249.84
    acrylic acid 107.81
    isopropyl myristate 28.29
    n-butyric acid 116.56
    acetyl acetate 199.8
    di(2-ethylhexyl) phthalate 28.38
    ethyl propionate 137.88
    nitromethane 978.84
    1,2-diethoxyethane 154.06
    benzonitrile 98.52
    trioctyl phosphate 20.52
    1-bromopropane 118.61
    gamma-valerolactone 297.39
    n-decanol 24.87
    triethyl phosphate 46.46
    4-methyl-2-pentanol 23.8
    propionitrile 216.65
    vinylene carbonate 125.06
    1,1,2-trichlorotrifluoroethane 165.15
    DMS 80.09
    cumene 19.22
    2-octanol 25.37
    2-hexanone 131.96
    octyl acetate 38.66
    limonene 27.6
    1,2-dimethoxyethane 380.82
    ethyl orthosilicate 42.1
    tributyl phosphate 27.0
    diacetone alcohol 83.52
    N,N-dimethylaniline 55.04
    acrylonitrile 253.34
    aniline 69.94
    1,3-propanediol 97.02
    bromobenzene 53.29
    dibromomethane 253.89
    1,1,2,2-tetrachloroethane 188.58
    2-methyl-cyclohexyl acetate 51.47
    tetrabutyl urea 45.53
    diisobutyl methanol 18.89
    2-phenylethanol 49.64
    styrene 43.15
    dioctyl adipate 50.68
    dimethyl sulfate 146.13
    ethyl butyrate 100.96
    methyl lactate 77.71
    butyl lactate 43.73
    diethyl carbonate 76.4
    propanediol butyl ether 53.68
    triethyl orthoformate 66.24
    p-tert-butyltoluene 15.65
    methyl 4-tert-butylbenzoate 60.19
    morpholine 269.05
    tert-butylamine 35.35
    n-dodecanol 20.28
    dimethoxymethane 296.79
    ethylene carbonate 118.22
    cyrene 93.8
    2-ethoxyethyl acetate 106.4
    2-ethylhexyl acetate 46.73
    1,2,4-trichlorobenzene 50.47
    4-methylpyridine 154.43
    dibutyl ether 56.82
    2,6-dimethyl-4-heptanol 18.89
    DEF 195.7
    dimethyl isosorbide 116.95
    tetrachloroethylene 118.42
    eugenol 63.46
    triacetin 90.54
    span 80 47.63
    1,4-butanediol 62.85
    1,1-dichloroethane 163.81
    2-methyl-1-pentanol 62.28
    methyl formate 223.92
    2-methyl-1-butanol 60.8
    n-decane 7.36
    butyronitrile 166.1
    3,7-dimethyl-1-octanol 24.24
    1-chlorooctane 22.51
    1-chlorotetradecane 10.21
    n-nonane 7.24
    undecane 5.58
    tert-butylcyclohexane 3.74
    cyclooctane 5.89
    cyclopentanol 96.12
    tetrahydropyran 221.77
    tert-amyl methyl ether 76.2
    2,5,8-trioxanonane 174.56
    1-hexene 30.91
    2-isopropoxyethanol 133.97
    2,2,2-trifluoroethanol 127.87
    methyl butyrate 162.69

    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