Bensulfuron

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  • Identifiers

    CAS number
    99283-01-9

    Molecular formula
    C15H16N4O7S

    SMILES
    COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 65.14%
    Savory 29.02%
    Cooked 28.66%
    Meaty 24.94%
    Grape 24.42%
    Roasted 23.74%
    Fruity 23.31%
    Sulfurous 18.22%
    Milky 17.96%
    Bitter 17.5%

     

    Flavor
    Bitter 69.42%
    Odorless 45.93%
    Bland 28.31%
    Mild 26.03%
    Very mild 22.92%
    Nitrile 19.79%
    Yeast 19.64%
    Taco 19.19%
    Sweet-like 19.15%
    Roasted peanuts 19.12%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    4.54 (weak acid)

    Molecular weight
    396.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1684°C

    Flash point

    • 288.62 ˚C est.

  • Synonyms

    • Bensulfuron
    • 99283-01-9
    • Bensulfuron [ISO]
    • 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
    • 1G14TM383F
    • 2-((((((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid
    • 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid
    • 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid
    • UNII-1G14TM383F
    • 2-[[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoic acid; Bensulfuron; Bensulfuron (Free Acid)
    • Bensulfuron (free acid)
    • SCHEMBL20834
    • DTXSID3074949
    • SCHEMBL29386841
    • CHEBI:132880
    • PPWBRCCBKOWDNB-UHFFFAOYSA-N
    • Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-
    • NS00005880
    • 283B019
    • Q27252370
    • alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid
    • .ALPHA.-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-O-TOLUIC ACID
    • 99283-01-9

  • Applications

    Bensulfuron (CAS 99283-01-9) is a sulfonylurea herbicide used as a selective weed control agent in rice and other cereals, acting by inhibiting acetolactate synthase (ALS) in susceptible weed species; it serves as an active ingredient in herbicide formulations produced by the crop protection industry (including emulsifiable concentrates, water-dispersible granules, and suspension concentrates), and is used in formulation development, crop protection product manufacturing, and integrated weed management programs in crop production, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.06
    methanol 5.2
    isopropanol 0.46
    water 0.77
    ethyl acetate 1.09
    n-propanol 1.69
    acetone 2.68
    n-butanol 0.74
    acetonitrile 2.26
    DMF 45.37
    toluene 0.15
    isobutanol 0.53
    1,4-dioxane 1.6
    methyl acetate 2.18
    THF 6.49
    2-butanone 3.2
    n-pentanol 0.4
    sec-butanol 0.55
    n-hexane 0.01
    ethylene glycol 5.34
    NMP 104.51
    cyclohexane 0.01
    DMSO 61.47
    n-butyl acetate 0.75
    n-octanol 0.11
    chloroform 0.27
    n-propyl acetate 1.05
    acetic acid 6.7
    dichloromethane 0.56
    cyclohexanone 3.25
    propylene glycol 5.83
    isopropyl acetate 0.37
    DMAc 53.64
    2-ethoxyethanol 6.99
    isopentanol 0.29
    n-heptane 0.01
    ethyl formate 3.3
    1,2-dichloroethane 0.5
    n-hexanol 0.15
    2-methoxyethanol 22.62
    isobutyl acetate 0.29
    tetrachloromethane 0.04
    n-pentyl acetate 0.33
    transcutol 5.21
    n-heptanol 0.15
    ethylbenzene 0.08
    MIBK 0.41
    2-propoxyethanol 5.13
    tert-butanol 0.22
    MTBE 0.1
    2-butoxyethanol 1.77
    propionic acid 3.97
    o-xylene 0.09
    formic acid 23.95
    diethyl ether 0.35
    m-xylene 0.08
    p-xylene 0.11
    chlorobenzene 0.14
    dimethyl carbonate 2.78
    n-octane 0.01
    formamide 34.08
    cyclopentanone 10.45
    2-pentanone 1.45
    anisole 0.43
    cyclopentyl methyl ether 0.74
    gamma-butyrolactone 20.92
    1-methoxy-2-propanol 7.69
    pyridine 3.18
    3-pentanone 1.34
    furfural 20.69
    n-dodecane 0.01
    diethylene glycol 10.04
    diisopropyl ether 0.03
    tert-amyl alcohol 0.26
    acetylacetone 2.24
    n-hexadecane 0.01
    acetophenone 1.11
    methyl propionate 2.92
    isopentyl acetate 0.42
    trichloroethylene 1.11
    n-nonanol 0.12
    cyclohexanol 0.31
    benzyl alcohol 0.8
    2-ethylhexanol 0.1
    isooctanol 0.09
    dipropyl ether 0.4
    1,2-dichlorobenzene 0.15
    ethyl lactate 2.49
    propylene carbonate 5.43
    n-methylformamide 26.15
    2-pentanol 0.19
    n-pentane 0.01
    1-propoxy-2-propanol 2.48
    1-methoxy-2-propyl acetate 1.88
    2-(2-methoxypropoxy) propanol 2.61
    mesitylene 0.04
    ε-caprolactone 3.88
    p-cymene 0.06
    epichlorohydrin 8.25
    1,1,1-trichloroethane 0.12
    2-aminoethanol 6.5
    morpholine-4-carbaldehyde 30.23
    sulfolane 39.16
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.43
    n-hexyl acetate 0.27
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.65
    sec-butyl acetate 0.32
    tert-butyl acetate 0.29
    decalin 0.01
    glycerin 20.55
    diglyme 5.5
    acrylic acid 7.25
    isopropyl myristate 0.11
    n-butyric acid 2.28
    acetyl acetate 0.62
    di(2-ethylhexyl) phthalate 0.36
    ethyl propionate 1.22
    nitromethane 24.89
    1,2-diethoxyethane 0.61
    benzonitrile 0.79
    trioctyl phosphate 0.22
    1-bromopropane 0.19
    gamma-valerolactone 27.83
    n-decanol 0.09
    triethyl phosphate 0.71
    4-methyl-2-pentanol 0.07
    propionitrile 1.63
    vinylene carbonate 5.4
    1,1,2-trichlorotrifluoroethane 11.9
    DMS 0.82
    cumene 0.05
    2-octanol 0.07
    2-hexanone 0.93
    octyl acetate 0.19
    limonene 0.06
    1,2-dimethoxyethane 7.59
    ethyl orthosilicate 0.47
    tributyl phosphate 0.33
    diacetone alcohol 1.51
    N,N-dimethylaniline 0.33
    acrylonitrile 4.1
    aniline 0.52
    1,3-propanediol 4.9
    bromobenzene 0.09
    dibromomethane 0.27
    1,1,2,2-tetrachloroethane 0.65
    2-methyl-cyclohexyl acetate 0.52
    tetrabutyl urea 0.69
    diisobutyl methanol 0.06
    2-phenylethanol 0.44
    styrene 0.1
    dioctyl adipate 0.39
    dimethyl sulfate 9.48
    ethyl butyrate 1.01
    methyl lactate 8.13
    butyl lactate 1.07
    diethyl carbonate 0.79
    propanediol butyl ether 1.8
    triethyl orthoformate 0.74
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.0
    morpholine 3.92
    tert-butylamine 0.06
    n-dodecanol 0.07
    dimethoxymethane 8.35
    ethylene carbonate 3.01
    cyrene 8.77
    2-ethoxyethyl acetate 0.93
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 0.25
    4-methylpyridine 1.6
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.06
    DEF 4.3
    dimethyl isosorbide 6.41
    tetrachloroethylene 0.4
    eugenol 1.76
    triacetin 0.99
    span 80 1.22
    1,4-butanediol 1.54
    1,1-dichloroethane 0.18
    2-methyl-1-pentanol 0.22
    methyl formate 16.54
    2-methyl-1-butanol 0.44
    n-decane 0.01
    butyronitrile 0.96
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.03
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.9
    tetrahydropyran 0.68
    tert-amyl methyl ether 0.18
    2,5,8-trioxanonane 4.66
    1-hexene 0.06
    2-isopropoxyethanol 1.76
    2,2,2-trifluoroethanol 4.11
    methyl butyrate 1.93

    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