Propaquizafop

Overview IFRA Request a quote

  • Identifiers

    CAS number
    111479-05-1

    Molecular formula
    C22H22ClN3O5

    SMILES
    C[C@H](C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 34.29%
    Roasted 31.07%
    Floral 28.91%
    Odorless 27.5%
    Grape 26.39%
    Powdery 23.9%
    Vanilla 23.56%
    Sweet 23.1%
    Cooked 21.92%
    Nutty 21.6%

     

    Flavor
    Bitter 69.94%
    Odorless 32.36%
    Bland 29.66%
    Mild 21.43%
    Sweet-like 20.82%
    Fruity 19.85%
    Parsley 19.64%
    Ethyl benzoate 19.5%
    Orange flower 19.21%
    Very mild 19.14%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    6.92 (neutral)

    Molecular weight
    443.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    537°C

    Melting point expt.

    • 62-64 °C

    Flash point

    • 232.79 ˚C est.

    Solubility expt.

    • Solubility in water, g/100ml at 20 °C: 0.06 (very poor)

  • Synonyms

    • Propaquizafop
    • 111479-05-1
    • Shogun
    • Propaquizafop [ISO]
    • UNII-24I4RS543N
    • PRILAN
    • Ro 17-3664
    • 24I4RS543N
    • PROPAQUIZAFOP [MI]
    • DTXSID8057934
    • RO-17-3664
    • CHEBI:82034
    • 2-Isopropylideneamino-oxyethyl (R)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate
    • Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, 2-(((1-methylethylidene)amino)oxy)ethyl ester, (2R)-
    • 2-(isopropylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
    • 2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
    • 2-[[(1-methylethylidene)amino]oxy]ethyl (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoate
    • Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, 2-(((1-methylethylidene)amino)oxy)ethyl ester, (R)-
    • Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, 2-[[(1-methylethylidene)amino]oxy]ethyl ester, (2R)-
    • 2-(isopropylideneamino)oxyethyl (2R)-2-(4-(6-chloroquinoxalin-2-yl)oxyphenoxy)propanoate
    • 2-(((1-methylethylidene)amino)oxy)ethyl (2R)-2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)propanoate
    • 2-((propan-2-ylideneamino)oxy)ethyl (2R)-2-(4-((6-chloroquinoxalin-2-yl)oxy)phenoxy)propanoate
    • Propaquizafop: 2-isopropylideneamino-oxyethyl (R)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate
    • Propaquizafop: 2-isopropylideneamino-oxyethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate
    • 2-(Propan-2-ylideneaminooxy)ethyl (R)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate
    • 2-(Propan-2-ylideneaminooxy)ethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate
    • RefChem:176390
    • DTXCID6031702
    • (R)-2-(((1-Methylethylidene)amino)oxy)ethyl 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)propanoate
    • 601-099-9
    • FROBCXTULYFHEJ-OAHLLOKOSA-N
    • AGIL
    • 2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
    • 2-((propan-2-ylideneamino)oxy)ethyl (R)-2-(4-((6-chloroquinoxalin-2-yl)oxy)phenoxy)propanoate
    • SCHEMBL43925
    • orb1705475
    • CHEMBL2251597
    • MSK22624
    • AKOS025401687
    • 2-isopropylideneaminooxyethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate
    • 2-{[(Propan-2-ylidene)amino]oxy}ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
    • AC-24496
    • HY-117262
    • CS-0064604
    • C18886
    • Propaquizafop, PESTANAL(R), analytical standard
    • Q27155700
    • (R)-2-((propan-2-ylideneamino)oxy)ethyl 2-(4-((6-chloroquinoxalin-2-yl)oxy)phenoxy)propanoate
    • 111479-05-1

  • Applications

    Propaquizafop is an herbicidal active ingredient in the aryloxyphenoxypropionate (AOPP) class, used in crop protection to control grass weeds. Typical applications include post-emergence control of annual grasses in cereal crops such as wheat and rice, formulated into products like emulsifiable concentrates (EC) or suspension concentrates (SC) and applied by sprayer after weed emergence. The mode of action is inhibition of acetyl-CoA carboxylase (ACCase) in grasses, leading to inhibited growth and selective tolerance in the main crops. Propaquizafop is commonly formulated and supplied as an active ingredient in commercial herbicide products and is often incorporated into integrated weed management programs with other herbicides, with use governed by local regulations and label instructions regarding dose and timing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.88
    methanol 32.15
    isopropanol 28.2
    water 0.44
    ethyl acetate 65.11
    n-propanol 39.67
    acetone 128.05
    n-butanol 34.13
    acetonitrile 185.36
    DMF 174.16
    toluene 35.05
    isobutanol 30.11
    1,4-dioxane 176.23
    methyl acetate 110.28
    THF 333.85
    2-butanone 116.86
    n-pentanol 35.03
    sec-butanol 40.57
    n-hexane 6.86
    ethylene glycol 10.5
    NMP 139.18
    cyclohexane 10.91
    DMSO 290.8
    n-butyl acetate 24.13
    n-octanol 10.73
    chloroform 368.09
    n-propyl acetate 42.0
    acetic acid 106.38
    dichloromethane 627.34
    cyclohexanone 142.89
    propylene glycol 9.77
    isopropyl acetate 28.74
    DMAc 280.06
    2-ethoxyethanol 80.97
    isopentanol 26.36
    n-heptane 6.12
    ethyl formate 52.25
    1,2-dichloroethane 256.42
    n-hexanol 15.26
    2-methoxyethanol 86.57
    isobutyl acetate 18.43
    tetrachloromethane 24.38
    n-pentyl acetate 23.3
    transcutol 100.55
    n-heptanol 12.74
    ethylbenzene 18.01
    MIBK 24.65
    2-propoxyethanol 44.33
    tert-butanol 21.91
    MTBE 34.94
    2-butoxyethanol 32.41
    propionic acid 52.93
    o-xylene 18.44
    formic acid 50.44
    diethyl ether 70.03
    m-xylene 12.68
    p-xylene 25.57
    chlorobenzene 45.88
    dimethyl carbonate 56.18
    n-octane 2.95
    formamide 96.37
    cyclopentanone 182.87
    2-pentanone 60.93
    anisole 37.55
    cyclopentyl methyl ether 79.74
    gamma-butyrolactone 188.76
    1-methoxy-2-propanol 48.71
    pyridine 185.37
    3-pentanone 73.73
    furfural 141.08
    n-dodecane 1.78
    diethylene glycol 33.15
    diisopropyl ether 10.67
    tert-amyl alcohol 30.12
    acetylacetone 68.41
    n-hexadecane 2.02
    acetophenone 41.8
    methyl propionate 76.71
    isopentyl acetate 18.44
    trichloroethylene 396.29
    n-nonanol 11.73
    cyclohexanol 49.09
    benzyl alcohol 36.49
    2-ethylhexanol 11.74
    isooctanol 10.19
    dipropyl ether 34.93
    1,2-dichlorobenzene 36.13
    ethyl lactate 21.45
    propylene carbonate 56.07
    n-methylformamide 93.97
    2-pentanol 22.82
    n-pentane 5.88
    1-propoxy-2-propanol 29.15
    1-methoxy-2-propyl acetate 28.24
    2-(2-methoxypropoxy) propanol 30.68
    mesitylene 5.82
    ε-caprolactone 102.79
    p-cymene 7.0
    epichlorohydrin 316.7
    1,1,1-trichloroethane 96.72
    2-aminoethanol 19.29
    morpholine-4-carbaldehyde 141.18
    sulfolane 168.57
    2,2,4-trimethylpentane 2.03
    2-methyltetrahydrofuran 149.73
    n-hexyl acetate 22.42
    isooctane 0.7
    2-(2-butoxyethoxy)ethanol 37.82
    sec-butyl acetate 23.09
    tert-butyl acetate 21.17
    decalin 3.52
    glycerin 17.78
    diglyme 102.43
    acrylic acid 56.76
    isopropyl myristate 10.52
    n-butyric acid 48.19
    acetyl acetate 41.44
    di(2-ethylhexyl) phthalate 12.59
    ethyl propionate 42.08
    nitromethane 269.33
    1,2-diethoxyethane 61.32
    benzonitrile 50.71
    trioctyl phosphate 7.79
    1-bromopropane 104.24
    gamma-valerolactone 196.47
    n-decanol 9.33
    triethyl phosphate 19.67
    4-methyl-2-pentanol 9.78
    propionitrile 94.4
    vinylene carbonate 67.78
    1,1,2-trichlorotrifluoroethane 114.52
    DMS 33.17
    cumene 9.22
    2-octanol 9.63
    2-hexanone 52.27
    octyl acetate 14.4
    limonene 10.07
    1,2-dimethoxyethane 159.22
    ethyl orthosilicate 18.28
    tributyl phosphate 10.56
    diacetone alcohol 26.25
    N,N-dimethylaniline 24.46
    acrylonitrile 120.16
    aniline 43.83
    1,3-propanediol 31.84
    bromobenzene 48.02
    dibromomethane 296.74
    1,1,2,2-tetrachloroethane 239.37
    2-methyl-cyclohexyl acetate 19.95
    tetrabutyl urea 17.55
    diisobutyl methanol 6.74
    2-phenylethanol 19.74
    styrene 22.19
    dioctyl adipate 19.99
    dimethyl sulfate 76.44
    ethyl butyrate 29.95
    methyl lactate 30.4
    butyl lactate 17.18
    diethyl carbonate 24.52
    propanediol butyl ether 18.47
    triethyl orthoformate 26.48
    p-tert-butyltoluene 5.18
    methyl 4-tert-butylbenzoate 25.95
    morpholine 189.97
    tert-butylamine 13.61
    n-dodecanol 7.6
    dimethoxymethane 124.09
    ethylene carbonate 61.6
    cyrene 39.63
    2-ethoxyethyl acetate 43.13
    2-ethylhexyl acetate 16.24
    1,2,4-trichlorobenzene 47.0
    4-methylpyridine 110.12
    dibutyl ether 26.24
    2,6-dimethyl-4-heptanol 6.74
    DEF 92.25
    dimethyl isosorbide 51.09
    tetrachloroethylene 141.86
    eugenol 26.66
    triacetin 35.24
    span 80 21.58
    1,4-butanediol 21.93
    1,1-dichloroethane 151.61
    2-methyl-1-pentanol 29.03
    methyl formate 83.22
    2-methyl-1-butanol 33.73
    n-decane 3.34
    butyronitrile 65.26
    3,7-dimethyl-1-octanol 9.0
    1-chlorooctane 10.68
    1-chlorotetradecane 4.38
    n-nonane 3.19
    undecane 2.36
    tert-butylcyclohexane 1.9
    cyclooctane 2.97
    cyclopentanol 63.65
    tetrahydropyran 155.87
    tert-amyl methyl ether 36.59
    2,5,8-trioxanonane 66.31
    1-hexene 23.08
    2-isopropoxyethanol 46.62
    2,2,2-trifluoroethanol 54.93
    methyl butyrate 52.6

    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