Bensulfuron-methyl

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  • Identifiers

    CAS number
    83055-99-6

    Molecular formula
    C16H18N4O7S

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 57.32%
    Fruity 29.67%
    Grape 29.31%
    Cooked 28.46%
    Savory 26.22%
    Roasted 25.35%
    Meaty 23.34%
    Milky 17.96%
    Fresh 17.38%
    Sulfurous 17.22%

     

    Flavor
    Bitter 75.06%
    Odorless 37.81%
    Bland 26.82%
    Mild 21.08%
    Very mild 19.98%
    Nitrile 18.94%
    Sweet-like 18.44%
    Taco 18.38%
    Broom 18.28%
    Yeast 18.25%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    4.36 (weak acid)

    Molecular weight
    410.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1391°C

    Flash point

    • 263.04 ˚C est.

  • Synonyms

    • BENSULFURON-METHYL
    • Bensulfuron methyl
    • 83055-99-6
    • Methyl bensulfuron
    • Bensulfuron methyl ester
    • methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
    • DTXSID7024164
    • QWL4I737BL
    • CHEBI:3017
    • DTXCID004164
    • Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-, methyl ester
    • bensulphuron-methyl
    • Benzoic acid, 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]-, methyl ester
    • methyl 2-((4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl)benzoate
    • methyl alpha-((4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-o-toluate
    • methyl alpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluate
    • RefChem:916836
    • 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid methyl ester
    • Methyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulphonyl)-o-toluate
    • methyl 2-(((((4,6-dimethoxypyrimidin-2-yl)carbamoyl)amino)sulfonyl)methyl)benzoate
    • 401-340-6
    • 622-783-3
    • Londax
    • Bensulfuron-methyl [ISO]
    • 104466-83-3
    • CHEMBL2313154
    • MFCD00128064
    • Mariner
    • Methyl alpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-o-toluate
    • methyl 2-((N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)methyl)benzoate
    • Bensulfuron-methyl 100 microg/mL in Acetonitrile
    • Bianmihuanglong
    • Bianmihuanglong; DPX 84; DPX-F 5384; F 5384; Londax; Mariner
    • methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoate
    • methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoa te
    • DPX-F 5384
    • UNII-QWL4I737BL
    • EPA Pesticide Chemical Code 128820
    • DPX 84
    • C16H18N4O7S
    • F 5384
    • 60G
    • Methyl alpha-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-o-toluate
    • Bensulfuron-methyl solution
    • EC 401-340-6
    • SCHEMBL55028
    • orb1306527
    • BENSULFURON-METHYL [MI]
    • SCHEMBL29368260
    • GLXC-23047
    • HY-B0870
    • MSK22262
    • Tox21_200393
    • BDBM50424591
    • AKOS015897329
    • NCGC00164284-01
    • NCGC00164284-02
    • NCGC00164284-03
    • NCGC00257947-01
    • AC-12588
    • AS-12841
    • FB151308
    • CAS-83055-99-6
    • DB-056679
    • CS-0012887
    • NS00009444
    • H54918
    • 055B996
    • A840495
    • Q2896712
    • Bensulfuron-methyl, PESTANAL(R), analytical standard
    • Methyl 2-{[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonylmethyl}benzoate
    • METHYL .ALPHA.-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-O-TOLUATE
    • Methyl 2-({[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoate
    • methyl 2-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonylaminosulfonylmethyl]benzoate
    • methyl 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoate
    • methyl2-((N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)methyl)benzoate
    • 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid methyl ester
    • 83055-99-6

  • Applications

    Bensulfuron-methyl (CAS 83055-99-6) is a sulfonylurea herbicide used in agriculture to control weeds in rice paddies and other sensitive crops; it is an active ingredient in commercial herbicide formulations designed for rice and related crops; it can be applied pre-emergence or early post-emergence to manage susceptible weeds; it is commonly used in tank-mix and rotation programs as part of integrated weed management to broaden spectrum and mitigate resistance; it is also employed in research and resistance monitoring related to ALS inhibitors and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.3
    methanol 10.68
    isopropanol 0.76
    water 0.77
    ethyl acetate 2.18
    n-propanol 2.77
    acetone 6.23
    n-butanol 1.2
    acetonitrile 4.23
    DMF 64.89
    toluene 0.22
    isobutanol 0.82
    1,4-dioxane 2.27
    methyl acetate 3.97
    THF 9.27
    2-butanone 5.94
    n-pentanol 0.6
    sec-butanol 0.84
    n-hexane 0.02
    ethylene glycol 5.48
    NMP 139.03
    cyclohexane 0.02
    DMSO 83.32
    n-butyl acetate 1.16
    n-octanol 0.14
    chloroform 1.13
    n-propyl acetate 1.62
    acetic acid 13.51
    dichloromethane 2.28
    cyclohexanone 5.7
    propylene glycol 6.23
    isopropyl acetate 0.67
    DMAc 81.84
    2-ethoxyethanol 8.26
    isopentanol 0.44
    n-heptane 0.02
    ethyl formate 5.58
    1,2-dichloroethane 1.48
    n-hexanol 0.18
    2-methoxyethanol 27.51
    isobutyl acetate 0.51
    tetrachloromethane 0.09
    n-pentyl acetate 0.51
    transcutol 6.16
    n-heptanol 0.19
    ethylbenzene 0.13
    MIBK 0.66
    2-propoxyethanol 5.54
    tert-butanol 0.32
    MTBE 0.16
    2-butoxyethanol 2.1
    propionic acid 6.29
    o-xylene 0.14
    formic acid 37.08
    diethyl ether 0.56
    m-xylene 0.12
    p-xylene 0.18
    chlorobenzene 0.39
    dimethyl carbonate 4.95
    n-octane 0.01
    formamide 53.98
    cyclopentanone 16.85
    2-pentanone 2.61
    anisole 0.71
    cyclopentyl methyl ether 0.99
    gamma-butyrolactone 29.98
    1-methoxy-2-propanol 8.31
    pyridine 5.55
    3-pentanone 2.36
    furfural 31.9
    n-dodecane 0.01
    diethylene glycol 9.77
    diisopropyl ether 0.04
    tert-amyl alcohol 0.4
    acetylacetone 4.27
    n-hexadecane 0.01
    acetophenone 1.99
    methyl propionate 5.27
    isopentyl acetate 0.66
    trichloroethylene 3.84
    n-nonanol 0.15
    cyclohexanol 0.45
    benzyl alcohol 1.38
    2-ethylhexanol 0.14
    isooctanol 0.13
    dipropyl ether 0.46
    1,2-dichlorobenzene 0.44
    ethyl lactate 3.19
    propylene carbonate 8.94
    n-methylformamide 38.6
    2-pentanol 0.27
    n-pentane 0.02
    1-propoxy-2-propanol 2.73
    1-methoxy-2-propyl acetate 2.74
    2-(2-methoxypropoxy) propanol 3.25
    mesitylene 0.05
    ε-caprolactone 6.31
    p-cymene 0.09
    epichlorohydrin 15.14
    1,1,1-trichloroethane 0.38
    2-aminoethanol 7.63
    morpholine-4-carbaldehyde 38.72
    sulfolane 55.24
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.13
    n-hexyl acetate 0.42
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.02
    sec-butyl acetate 0.54
    tert-butyl acetate 0.48
    decalin 0.01
    glycerin 18.95
    diglyme 6.87
    acrylic acid 10.78
    isopropyl myristate 0.16
    n-butyric acid 3.71
    acetyl acetate 1.41
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 1.82
    nitromethane 44.99
    1,2-diethoxyethane 0.79
    benzonitrile 1.57
    trioctyl phosphate 0.32
    1-bromopropane 0.45
    gamma-valerolactone 36.43
    n-decanol 0.11
    triethyl phosphate 1.15
    4-methyl-2-pentanol 0.1
    propionitrile 2.76
    vinylene carbonate 9.98
    1,1,2-trichlorotrifluoroethane 20.32
    DMS 1.52
    cumene 0.08
    2-octanol 0.09
    2-hexanone 1.51
    octyl acetate 0.29
    limonene 0.1
    1,2-dimethoxyethane 9.54
    ethyl orthosilicate 0.73
    tributyl phosphate 0.48
    diacetone alcohol 2.06
    N,N-dimethylaniline 0.52
    acrylonitrile 6.67
    aniline 0.91
    1,3-propanediol 6.18
    bromobenzene 0.26
    dibromomethane 0.93
    1,1,2,2-tetrachloroethane 2.21
    2-methyl-cyclohexyl acetate 0.85
    tetrabutyl urea 1.0
    diisobutyl methanol 0.08
    2-phenylethanol 0.7
    styrene 0.17
    dioctyl adipate 0.66
    dimethyl sulfate 16.38
    ethyl butyrate 1.56
    methyl lactate 10.31
    butyl lactate 1.41
    diethyl carbonate 1.3
    propanediol butyl ether 2.04
    triethyl orthoformate 1.07
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.6
    morpholine 5.49
    tert-butylamine 0.09
    n-dodecanol 0.08
    dimethoxymethane 11.7
    ethylene carbonate 5.35
    cyrene 11.03
    2-ethoxyethyl acetate 1.45
    2-ethylhexyl acetate 0.52
    1,2,4-trichlorobenzene 0.71
    4-methylpyridine 2.85
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.08
    DEF 6.93
    dimethyl isosorbide 7.91
    tetrachloroethylene 1.26
    eugenol 2.4
    triacetin 1.77
    span 80 1.54
    1,4-butanediol 1.95
    1,1-dichloroethane 0.54
    2-methyl-1-pentanol 0.34
    methyl formate 25.34
    2-methyl-1-butanol 0.67
    n-decane 0.01
    butyronitrile 1.69
    3,7-dimethyl-1-octanol 0.11
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.27
    tetrahydropyran 1.11
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 5.58
    1-hexene 0.09
    2-isopropoxyethanol 2.22
    2,2,2-trifluoroethanol 7.34
    methyl butyrate 2.92

    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