Bispyribac

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  • Identifiers

    CAS number
    125401-75-4

    Molecular formula
    C19H18N4O8

    SMILES
    COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 34.45%
    Odorless 32.06%
    Floral 30.11%
    Green 27.14%
    Phenolic 26.22%
    Animal 23.09%
    Balsamic 22.22%
    Aromatic 21.66%
    Powdery 21.63%
    Fresh 21.31%

     

    Flavor
    Bitter 67.97%
    Odorless 31.89%
    Bland 31.41%
    Sweet-like 21.28%
    Parsley 20.71%
    Mild 20.64%
    Carrot 20.02%
    Cedarleaf 19.95%
    Eugenol 19.29%
    Green pepper 19.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    3.96 (weak acid)

    Molecular weight
    430.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    759°C

    Melting point expt.

    • 148-150 °C

    Flash point

    • 242.77 ˚C est.

    Solubility expt.

    • Solubility in water at 25 °C: 733 g/L /Bispyribac sodium salt/

  • Synonyms

    • Bispyribac
    • 125401-75-4
    • 2,6-Bis((4,6-dimethoxypyrimidin-2-yl)oxy)benzoic acid
    • 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
    • Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
    • 9W20BD966G
    • CHEBI:3129
    • DTXSID0043977
    • Benzoic acid, 2,6-bis((4,6-dimethoxy-2-pyrimidinyl)oxy)-
    • RefChem:120515
    • 2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid
    • DTXCID8023977
    • 603-065-9
    • Bispyribac [ISO:BSI]
    • MFCD02071313
    • UNII-9W20BD966G
    • 2,6-BIS[(4,6-DIMETHOXY-2-PYRIMIDINYL)OXY]BENZOIC ACID
    • HSDB 7945
    • Nanogen Index code BPX (3-031)
    • C19H18N4O8
    • 6QL
    • BISPYRIBAC [MI]
    • BISPYRIBAC [ISO]
    • BISPYRIBAC [HSDB]
    • SCHEMBL65725
    • orb2944244
    • CHEMBL3306579
    • AKOS016002145
    • DS-14855
    • SY112868
    • CS-0012885
    • I10550
    • 401B754
    • AN-668/13679017
    • 2,6-bis(4,6-dimethoxy-2-pyrimidinyloxy)benzoic acid
    • Q27105948
    • 2,6-bis[(4.6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
    • 2,6-bis[(4,6-dimethoxypyrimidin-2-yl) oxy]benzoic acid
    • Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-; 2,6-Bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid; Bispyribac
    • 125401-75-4

  • Applications

    Bispyribac (CAS 125401-75-4) is a selective post-emergence herbicide used in agriculture to control weeds in rice production, targeting annual grasses and some broadleaf weeds; it is formulated in various forms such as water-dispersible granules (WDG) or emulsifiable concentrates (EC) for field applications; it is commonly integrated into weed-management programs in paddy fields; suitable for both direct-seeded and transplanted rice systems; timing and water management are important for optimal efficacy; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.81
    methanol 4.12
    isopropanol 1.14
    water 0.19
    ethyl acetate 5.42
    n-propanol 2.71
    acetone 8.41
    n-butanol 1.58
    acetonitrile 5.91
    DMF 47.0
    toluene 1.55
    isobutanol 1.5
    1,4-dioxane 6.42
    methyl acetate 10.14
    THF 22.72
    2-butanone 10.19
    n-pentanol 1.22
    sec-butanol 1.35
    n-hexane 0.06
    ethylene glycol 4.08
    NMP 126.2
    cyclohexane 0.09
    DMSO 74.15
    n-butyl acetate 2.67
    n-octanol 0.27
    chloroform 9.97
    n-propyl acetate 3.54
    acetic acid 14.74
    dichloromethane 12.49
    cyclohexanone 12.59
    propylene glycol 3.38
    isopropyl acetate 2.05
    DMAc 97.03
    2-ethoxyethanol 8.8
    isopentanol 0.99
    n-heptane 0.06
    ethyl formate 8.05
    1,2-dichloroethane 7.96
    n-hexanol 0.53
    2-methoxyethanol 22.28
    isobutyl acetate 1.62
    tetrachloromethane 1.08
    n-pentyl acetate 1.26
    transcutol 6.69
    n-heptanol 0.43
    ethylbenzene 0.6
    MIBK 1.78
    2-propoxyethanol 7.78
    tert-butanol 0.98
    MTBE 0.7
    2-butoxyethanol 3.71
    propionic acid 9.17
    o-xylene 0.97
    formic acid 23.7
    diethyl ether 1.15
    m-xylene 0.76
    p-xylene 1.07
    chlorobenzene 2.38
    dimethyl carbonate 10.93
    n-octane 0.02
    formamide 33.94
    cyclopentanone 30.28
    2-pentanone 4.57
    anisole 1.81
    cyclopentyl methyl ether 3.44
    gamma-butyrolactone 56.7
    1-methoxy-2-propanol 9.39
    pyridine 14.38
    3-pentanone 5.23
    furfural 43.71
    n-dodecane 0.03
    diethylene glycol 10.13
    diisopropyl ether 0.2
    tert-amyl alcohol 1.11
    acetylacetone 8.23
    n-hexadecane 0.03
    acetophenone 4.45
    methyl propionate 11.12
    isopentyl acetate 1.99
    trichloroethylene 21.87
    n-nonanol 0.32
    cyclohexanol 1.46
    benzyl alcohol 3.33
    2-ethylhexanol 0.46
    isooctanol 0.35
    dipropyl ether 1.13
    1,2-dichlorobenzene 2.47
    ethyl lactate 4.53
    propylene carbonate 17.44
    n-methylformamide 29.27
    2-pentanol 0.58
    n-pentane 0.06
    1-propoxy-2-propanol 4.03
    1-methoxy-2-propyl acetate 5.34
    2-(2-methoxypropoxy) propanol 4.88
    mesitylene 0.35
    ε-caprolactone 13.26
    p-cymene 0.46
    epichlorohydrin 41.56
    1,1,1-trichloroethane 4.27
    2-aminoethanol 5.33
    morpholine-4-carbaldehyde 41.67
    sulfolane 83.04
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 7.48
    n-hexyl acetate 0.96
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.71
    sec-butyl acetate 1.56
    tert-butyl acetate 1.86
    decalin 0.06
    glycerin 11.45
    diglyme 9.54
    acrylic acid 14.43
    isopropyl myristate 0.51
    n-butyric acid 5.93
    acetyl acetate 4.19
    di(2-ethylhexyl) phthalate 1.46
    ethyl propionate 3.9
    nitromethane 48.6
    1,2-diethoxyethane 1.66
    benzonitrile 4.49
    trioctyl phosphate 0.88
    1-bromopropane 2.17
    gamma-valerolactone 48.28
    n-decanol 0.28
    triethyl phosphate 2.99
    4-methyl-2-pentanol 0.3
    propionitrile 5.38
    vinylene carbonate 15.68
    1,1,2-trichlorotrifluoroethane 45.75
    DMS 4.09
    cumene 0.38
    2-octanol 0.21
    2-hexanone 3.17
    octyl acetate 0.79
    limonene 0.48
    1,2-dimethoxyethane 11.79
    ethyl orthosilicate 2.06
    tributyl phosphate 1.25
    diacetone alcohol 4.39
    N,N-dimethylaniline 1.56
    acrylonitrile 11.42
    aniline 3.34
    1,3-propanediol 5.88
    bromobenzene 2.07
    dibromomethane 5.78
    1,1,2,2-tetrachloroethane 14.68
    2-methyl-cyclohexyl acetate 2.33
    tetrabutyl urea 2.31
    diisobutyl methanol 0.26
    2-phenylethanol 2.07
    styrene 0.72
    dioctyl adipate 1.55
    dimethyl sulfate 33.56
    ethyl butyrate 3.01
    methyl lactate 12.54
    butyl lactate 2.2
    diethyl carbonate 2.96
    propanediol butyl ether 2.37
    triethyl orthoformate 2.56
    p-tert-butyltoluene 0.36
    methyl 4-tert-butylbenzoate 3.33
    morpholine 10.72
    tert-butylamine 0.33
    n-dodecanol 0.23
    dimethoxymethane 15.48
    ethylene carbonate 10.85
    cyrene 13.01
    2-ethoxyethyl acetate 3.21
    2-ethylhexyl acetate 1.61
    1,2,4-trichlorobenzene 4.56
    4-methylpyridine 9.26
    dibutyl ether 0.39
    2,6-dimethyl-4-heptanol 0.26
    DEF 10.48
    dimethyl isosorbide 12.02
    tetrachloroethylene 8.75
    eugenol 3.58
    triacetin 3.55
    span 80 2.67
    1,4-butanediol 2.2
    1,1-dichloroethane 4.02
    2-methyl-1-pentanol 0.95
    methyl formate 24.32
    2-methyl-1-butanol 1.34
    n-decane 0.03
    butyronitrile 3.17
    3,7-dimethyl-1-octanol 0.25
    1-chlorooctane 0.14
    1-chlorotetradecane 0.1
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.03
    cyclopentanol 3.63
    tetrahydropyran 3.22
    tert-amyl methyl ether 0.99
    2,5,8-trioxanonane 8.18
    1-hexene 0.31
    2-isopropoxyethanol 3.71
    2,2,2-trifluoroethanol 12.89
    methyl butyrate 5.77

    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