Pinoxaden

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  • Identifiers

    CAS number
    243973-20-8

    Molecular formula
    C23H32N2O4

    SMILES
    CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 33.62%
    Floral 32.61%
    Musk 32.35%
    Fruity 29.2%
    Dry 27.94%
    Fatty 25.62%
    Woody 24.88%
    Powdery 23.84%
    Fresh 22.93%
    Neroli 22.6%

     

    Flavor
    Bitter 71.4%
    Bland 22.0%
    Parsley 21.42%
    Cedarleaf 21.17%
    Green pepper 20.17%
    Lovage 20.0%
    Carrot 19.85%
    Heather 19.7%
    Broom 19.65%
    Ripe apricot 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    6.34 (neutral)

    Molecular weight
    400.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    896°C

    Melting point expt.

    • 120.5-121.6 °C

    Flash point

    • 204.92 ˚C est.

    Solubility expt.

    • Solubilities (g/L): acetone 250; dichloromethane >500; ethyl acetate 130; hexane 1.0; methanol 260; octanol 140; toluene 130
    • In water, 220 mg/L at 25 °C

  • Synonyms

    • Pinoxaden
    • 243973-20-8
    • Pinoxaden [ISO]
    • UNII-U55GLF9LV9
    • U55GLF9LV9
    • DTXSID8034823
    • CHEBI:83524
    • HSDB 7884
    • PINOXADEN [MI]
    • [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate
    • DTXCID6014823
    • Pinoxaden 100 microg/mL in Acetonitrile
    • 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo(1,2-d)(1,4,5)oxadiazepin-9-yl 2,2-dimethylpropanoate
    • Propanoic acid, 2,2-dimethyl-, 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl ester
    • 8-(2,6-DIETHYL-P-TOLYL)-1,2,4,5-TETRAHYDRO-7-OXO-7H-PYRAZOLO(1,2-D)(1,4,5)OXADIAZEPIN-9-YL 2,2-DIMETHYLPROPIONATE
    • 8-(2,6-diethyl-p-tolyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropionate
    • Propanoic acid, 2,2-dimethyl-, 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo(1,2-d)(1,4,5)oxadiazepin-9-yl ester
    • (8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo(1,2-d)(1,4,5)oxadiazepin-9-yl) 2,2-dimethylpropanoate
    • NewAxial; 8-(2,6-Diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-Dimethyl-propanoic Acid Ester;
    • SCHEMBL64416
    • CHEMBL1866631
    • MGOHCFMYLBAPRN-UHFFFAOYSA-N
    • BCP30997
    • TJA97320
    • Tox21_304033
    • USEPA/OPP Pesticide Code: 147500
    • NCGC00163860-01
    • NCGC00356993-01
    • CAS-243973-20-8
    • CS-0572079
    • NS00000321
    • Pinoxaden, PESTANAL(R), analytical standard
    • EN300-1661086
    • Q15632855
    • Z2574926827
    • 8-(2,6-diethyl-p-tolyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo
    • 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo
    • 8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate
    • 8-(2,6-diethyl-4-methylphenyl)-9-oxo-1H,2H,4H,5H,9H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-yl 2,2-dimethylpropanoate
    • Propanoic acid, 2,2-dimethyl-, 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-ox o-7H-pyrazolo
    • Propanoic acid, 2,2-dimethyl-, 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo1,2-d1,4,5oxadiazepin-9-yl ester

  • Applications

    Pinoxaden (CAS 243973-20-8) is a selective systemic herbicide used in cereal crops to control grassy weeds. It is commonly formulated as an active ingredient in crop-protection products (such as emulsifiable concentrates and suspension concentrates) and is often applied in tank-mix programs with other herbicides as part of cereal weed-management strategies; its deployment occurs within agricultural and agrochemical formulation sectors and is subject to local regulatory requirements and label restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 246.04
    methanol 252.52
    isopropanol 167.42
    water 0.82
    ethyl acetate 811.2
    n-propanol 231.56
    acetone 962.89
    n-butanol 235.23
    acetonitrile 630.96
    DMF 1512.52
    toluene 623.95
    isobutanol 218.42
    1,4-dioxane 886.9
    methyl acetate 833.76
    THF 1289.32
    2-butanone 856.03
    n-pentanol 207.11
    sec-butanol 223.95
    n-hexane 27.32
    ethylene glycol 59.44
    NMP 2077.85
    cyclohexane 62.29
    DMSO 738.65
    n-butyl acetate 472.64
    n-octanol 95.01
    chloroform 2282.23
    n-propyl acetate 450.02
    acetic acid 952.25
    dichloromethane 2264.07
    cyclohexanone 1214.17
    propylene glycol 71.54
    isopropyl acetate 546.41
    DMAc 2042.35
    2-ethoxyethanol 423.79
    isopentanol 256.59
    n-heptane 13.88
    ethyl formate 536.7
    1,2-dichloroethane 1556.66
    n-hexanol 203.24
    2-methoxyethanol 582.38
    isobutyl acetate 342.41
    tetrachloromethane 349.22
    n-pentyl acetate 388.37
    transcutol 745.6
    n-heptanol 120.72
    ethylbenzene 245.29
    MIBK 453.8
    2-propoxyethanol 470.87
    tert-butanol 206.62
    MTBE 386.11
    2-butoxyethanol 347.14
    propionic acid 423.99
    o-xylene 336.05
    formic acid 334.11
    diethyl ether 426.65
    m-xylene 312.59
    p-xylene 373.14
    chlorobenzene 1044.43
    dimethyl carbonate 633.28
    n-octane 7.77
    formamide 540.03
    cyclopentanone 1450.65
    2-pentanone 727.04
    anisole 479.32
    cyclopentyl methyl ether 668.57
    gamma-butyrolactone 1560.02
    1-methoxy-2-propanol 417.41
    pyridine 1327.88
    3-pentanone 656.85
    furfural 1545.04
    n-dodecane 7.03
    diethylene glycol 304.75
    diisopropyl ether 137.56
    tert-amyl alcohol 263.21
    acetylacetone 1018.35
    n-hexadecane 8.63
    acetophenone 605.89
    methyl propionate 741.3
    isopentyl acetate 480.95
    trichloroethylene 3240.86
    n-nonanol 96.34
    cyclohexanol 362.33
    benzyl alcohol 415.38
    2-ethylhexanol 147.26
    isooctanol 107.67
    dipropyl ether 151.26
    1,2-dichlorobenzene 975.8
    ethyl lactate 236.8
    propylene carbonate 1023.23
    n-methylformamide 676.37
    2-pentanol 176.63
    n-pentane 24.83
    1-propoxy-2-propanol 267.46
    1-methoxy-2-propyl acetate 504.66
    2-(2-methoxypropoxy) propanol 287.29
    mesitylene 162.94
    ε-caprolactone 1135.75
    p-cymene 121.86
    epichlorohydrin 2139.21
    1,1,1-trichloroethane 1534.29
    2-aminoethanol 129.47
    morpholine-4-carbaldehyde 1542.74
    sulfolane 1483.98
    2,2,4-trimethylpentane 25.52
    2-methyltetrahydrofuran 1006.74
    n-hexyl acetate 405.2
    isooctane 13.16
    2-(2-butoxyethoxy)ethanol 355.99
    sec-butyl acetate 372.83
    tert-butyl acetate 469.53
    decalin 43.06
    glycerin 141.57
    diglyme 771.76
    acrylic acid 510.68
    isopropyl myristate 135.63
    n-butyric acid 637.91
    acetyl acetate 804.13
    di(2-ethylhexyl) phthalate 200.18
    ethyl propionate 432.56
    nitromethane 1740.77
    1,2-diethoxyethane 358.11
    benzonitrile 644.02
    trioctyl phosphate 122.47
    1-bromopropane 643.99
    gamma-valerolactone 1893.29
    n-decanol 67.54
    triethyl phosphate 203.89
    4-methyl-2-pentanol 128.81
    propionitrile 426.65
    vinylene carbonate 1043.38
    1,1,2-trichlorotrifluoroethane 1308.38
    DMS 552.69
    cumene 156.05
    2-octanol 84.25
    2-hexanone 445.63
    octyl acetate 201.92
    limonene 173.7
    1,2-dimethoxyethane 680.81
    ethyl orthosilicate 185.89
    tributyl phosphate 156.7
    diacetone alcohol 431.74
    N,N-dimethylaniline 330.75
    acrylonitrile 607.09
    aniline 572.93
    1,3-propanediol 224.5
    bromobenzene 1160.11
    dibromomethane 1314.52
    1,1,2,2-tetrachloroethane 2281.09
    2-methyl-cyclohexyl acetate 320.42
    tetrabutyl urea 207.72
    diisobutyl methanol 75.5
    2-phenylethanol 374.41
    styrene 346.59
    dioctyl adipate 221.17
    dimethyl sulfate 969.78
    ethyl butyrate 332.12
    methyl lactate 370.74
    butyl lactate 262.07
    diethyl carbonate 258.87
    propanediol butyl ether 225.73
    triethyl orthoformate 236.24
    p-tert-butyltoluene 108.62
    methyl 4-tert-butylbenzoate 384.66
    morpholine 944.33
    tert-butylamine 123.77
    n-dodecanol 50.5
    dimethoxymethane 866.88
    ethylene carbonate 849.3
    cyrene 440.93
    2-ethoxyethyl acetate 590.88
    2-ethylhexyl acetate 414.73
    1,2,4-trichlorobenzene 1171.63
    4-methylpyridine 1457.8
    dibutyl ether 123.86
    2,6-dimethyl-4-heptanol 75.5
    DEF 1006.21
    dimethyl isosorbide 549.12
    tetrachloroethylene 1400.33
    eugenol 349.78
    triacetin 434.72
    span 80 232.25
    1,4-butanediol 116.3
    1,1-dichloroethane 1394.24
    2-methyl-1-pentanol 254.47
    methyl formate 664.62
    2-methyl-1-butanol 271.22
    n-decane 11.62
    butyronitrile 420.37
    3,7-dimethyl-1-octanol 113.3
    1-chlorooctane 89.73
    1-chlorotetradecane 37.23
    n-nonane 9.5
    undecane 8.64
    tert-butylcyclohexane 29.37
    cyclooctane 18.34
    cyclopentanol 369.79
    tetrahydropyran 767.03
    tert-amyl methyl ether 358.18
    2,5,8-trioxanonane 465.91
    1-hexene 132.8
    2-isopropoxyethanol 319.9
    2,2,2-trifluoroethanol 509.32
    methyl butyrate 559.32

    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