Mesosulfuron

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  • Identifiers

    CAS number
    400852-66-6

    Molecular formula
    C16H19N5O9S2

    SMILES
    COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.58%
    Savory 30.04%
    Cooked 28.33%
    Meaty 23.75%
    Roasted 22.84%
    Sulfurous 18.52%
    Grape 17.12%
    Milky 15.61%
    Bitter 15.6%
    Pungent 15.14%

     

    Flavor
    Bitter 81.71%
    Odorless 41.75%
    Bland 28.81%
    Mild 20.95%
    Very mild 20.58%
    Nitrile 19.41%
    Sweet-like 18.68%
    Taco 18.64%
    Roasted peanuts 18.41%
    Yeast 18.41%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    3.49 (weak acid)

    Molecular weight
    489.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2333°C

    Flash point

    • 354.12 ˚C est.

  • Synonyms

    • Mesosulfuron
    • 400852-66-6
    • Mesosulfuron [ISO]
    • UNII-2919YAC7YA
    • 2919YAC7YA
    • DTXSID8058087
    • 2-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-.ALPHA.-(METHANESULFONAMIDO)-P-TOLUIC ACID
    • RefChem:156678
    • DTXCID4031855
    • 2-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-ALPHA-(METHANESULFONAMIDO)-P-TOLUIC ACID
    • Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]-
    • 2-(N-((4,6-Dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-4-(methylsulfonamidomethyl)benzoic acid
    • 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoic Acid
    • 2-(((((4,6-DIMETHOXY-2-PYRIMIDINYL)AMINO)CARBONYL)AMINO)SULFONYL)-4-(((METHYLSULFONYL)AMINO)METHYL)BENZOIC ACID
    • 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]benzoic acid
    • mesosulfuron-methyl TP2
    • Mesosulfuron 100 microg/mL in Acetonitrile
    • SCHEMBL121017
    • C16H19N5O9S2
    • Mesosulfuron acid (AE F154851)
    • NS00001969
    • F88762
    • Q22808383
    • 2-(N-((4,6-Dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-4-(methylsulfonamidomethyl)benzoicacid
    • 2-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-4-[[(methylsulfonyl)amino]methyl]benzoic acid; AE-F 154851
    • 2-{[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-4-[(methanesulfonamido)methyl]benzoic acid
    • 400852-66-6

  • Applications

    Mesosulfuron is primarily used as an active ingredient in selective herbicide products for cereal crops, providing control of grasses and some broadleaf weeds while preserving the crop; it is formulated for spray applications and commonly used in pre-emergence and early post-emergence timings within integrated weed management programs; the chemical is typically employed as part of combination herbicide programs with other sulfonylureas or complementary actives to broaden spectrum and manage resistance; in commercial agrochemical products, mesosulfuron serves as the active component in formulations often paired with adjuvants to optimize coverage and uptake; its use is subject to local regulations and formulation limits, and it is not described for non-agricultural applications in standard practice.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.25
    methanol 0.63
    isopropanol 0.04
    water 0.02
    ethyl acetate 0.08
    n-propanol 0.12
    acetone 0.31
    n-butanol 0.06
    acetonitrile 0.29
    DMF 1.59
    toluene 0.01
    isobutanol 0.03
    1,4-dioxane 0.23
    methyl acetate 0.2
    THF 0.89
    2-butanone 0.36
    n-pentanol 0.03
    sec-butanol 0.04
    n-hexane 0.0
    ethylene glycol 0.15
    NMP 6.65
    cyclohexane 0.0
    DMSO 6.6
    n-butyl acetate 0.08
    n-octanol 0.02
    chloroform 0.07
    n-propyl acetate 0.08
    acetic acid 0.5
    dichloromethane 0.14
    cyclohexanone 0.39
    propylene glycol 0.13
    isopropyl acetate 0.03
    DMAc 3.38
    2-ethoxyethanol 0.4
    isopentanol 0.02
    n-heptane 0.0
    ethyl formate 0.54
    1,2-dichloroethane 0.09
    n-hexanol 0.01
    2-methoxyethanol 1.41
    isobutyl acetate 0.02
    tetrachloromethane 0.01
    n-pentyl acetate 0.04
    transcutol 0.31
    n-heptanol 0.02
    ethylbenzene 0.01
    MIBK 0.03
    2-propoxyethanol 0.35
    tert-butanol 0.02
    MTBE 0.01
    2-butoxyethanol 0.19
    propionic acid 0.19
    o-xylene 0.01
    formic acid 2.15
    diethyl ether 0.03
    m-xylene 0.0
    p-xylene 0.01
    chlorobenzene 0.02
    dimethyl carbonate 0.14
    n-octane 0.0
    formamide 3.03
    cyclopentanone 1.12
    2-pentanone 0.11
    anisole 0.04
    cyclopentyl methyl ether 0.05
    gamma-butyrolactone 1.65
    1-methoxy-2-propanol 0.31
    pyridine 0.46
    3-pentanone 0.1
    furfural 2.4
    n-dodecane 0.0
    diethylene glycol 0.45
    diisopropyl ether 0.0
    tert-amyl alcohol 0.02
    acetylacetone 0.18
    n-hexadecane 0.0
    acetophenone 0.1
    methyl propionate 0.15
    isopentyl acetate 0.04
    trichloroethylene 0.16
    n-nonanol 0.02
    cyclohexanol 0.02
    benzyl alcohol 0.05
    2-ethylhexanol 0.01
    isooctanol 0.01
    dipropyl ether 0.03
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.12
    propylene carbonate 0.44
    n-methylformamide 1.59
    2-pentanol 0.01
    n-pentane 0.0
    1-propoxy-2-propanol 0.14
    1-methoxy-2-propyl acetate 0.11
    2-(2-methoxypropoxy) propanol 0.29
    mesitylene 0.0
    ε-caprolactone 0.36
    p-cymene 0.0
    epichlorohydrin 1.03
    1,1,1-trichloroethane 0.02
    2-aminoethanol 0.22
    morpholine-4-carbaldehyde 1.93
    sulfolane 3.41
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.17
    n-hexyl acetate 0.03
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.25
    sec-butyl acetate 0.02
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 0.54
    diglyme 0.68
    acrylic acid 0.31
    isopropyl myristate 0.01
    n-butyric acid 0.14
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.09
    nitromethane 1.92
    1,2-diethoxyethane 0.05
    benzonitrile 0.08
    trioctyl phosphate 0.02
    1-bromopropane 0.03
    gamma-valerolactone 2.78
    n-decanol 0.01
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.0
    propionitrile 0.18
    vinylene carbonate 0.45
    1,1,2-trichlorotrifluoroethane 0.9
    DMS 0.06
    cumene 0.0
    2-octanol 0.01
    2-hexanone 0.1
    octyl acetate 0.02
    limonene 0.01
    1,2-dimethoxyethane 0.95
    ethyl orthosilicate 0.05
    tributyl phosphate 0.03
    diacetone alcohol 0.08
    N,N-dimethylaniline 0.03
    acrylonitrile 0.4
    aniline 0.03
    1,3-propanediol 0.3
    bromobenzene 0.01
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.1
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.1
    diisobutyl methanol 0.0
    2-phenylethanol 0.04
    styrene 0.01
    dioctyl adipate 0.04
    dimethyl sulfate 0.44
    ethyl butyrate 0.09
    methyl lactate 0.26
    butyl lactate 0.08
    diethyl carbonate 0.09
    propanediol butyl ether 0.12
    triethyl orthoformate 0.07
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.09
    morpholine 0.37
    tert-butylamine 0.0
    n-dodecanol 0.01
    dimethoxymethane 0.47
    ethylene carbonate 0.26
    cyrene 0.64
    2-ethoxyethyl acetate 0.09
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.17
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.0
    DEF 0.28
    dimethyl isosorbide 0.66
    tetrachloroethylene 0.07
    eugenol 0.16
    triacetin 0.07
    span 80 0.08
    1,4-butanediol 0.07
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.01
    methyl formate 1.32
    2-methyl-1-butanol 0.03
    n-decane 0.0
    butyronitrile 0.14
    3,7-dimethyl-1-octanol 0.01
    1-chlorooctane 0.0
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.06
    tetrahydropyran 0.09
    tert-amyl methyl ether 0.01
    2,5,8-trioxanonane 0.55
    1-hexene 0.01
    2-isopropoxyethanol 0.09
    2,2,2-trifluoroethanol 0.3
    methyl butyrate 0.18

    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