Metosulam

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  • Identifiers

    CAS number
    139528-85-1

    Molecular formula
    C14H13Cl2N5O4S

    SMILES
    CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=CC(=NC3=N2)OC)OC)Cl

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 66.06%
    Grape 22.49%
    Cooked 22.18%
    Savory 20.63%
    Roasted 19.32%
    Bitter 18.31%
    Milky 17.94%
    Fruity 17.67%
    Meaty 16.89%
    Fatty 15.56%

     

    Flavor
    Bitter 94.66%
    Odorless 35.53%
    Bland 26.02%
    Sweet-like 18.75%
    Nitrile 18.56%
    Cedarleaf 18.02%
    Bread crust 17.67%
    Very strong 17.6%
    Taco 17.56%
    Roasted peanuts 17.33%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    4.82 (weak acid)

    Molecular weight
    418.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    560°C

    Melting point expt.

    • 224 - 226 °C

    Flash point

    • 234.33 ˚C est.

    Solubility expt.

    • 0.2 mg/mL at 20 °C

  • Synonyms

    • Metosulam
    • 139528-85-1
    • TACCO
    • N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
    • 38SY84A64X
    • DE-511
    • DTXSID9047544
    • [1,2,4]Triazolo[1,5-a]pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-
    • N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy-1,2,4-triazolo-(1,5a)-pyrimidine-2-sulfonamide
    • (1,2,4)Triazolo(1,5-a)pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-
    • N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide
    • RefChem:158394
    • DTXCID7027544
    • 410-240-1
    • 604-145-6
    • Metosulam [ISO]
    • Metosulam 10 microg/mL in Acetonitrile
    • N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
    • C14H13Cl2N5O4S
    • UNII-38SY84A64X
    • N-(2,6-DICHLORO-3-METHYLPHENYL)-5,7-DIMETHOXY(1,2,4)TRIAZOLO(1,5-A)PYRIMIDINE-2-SULFONAMIDE
    • SCHEMBL55076
    • CHEMBL2288020
    • SCHEMBL29516826
    • CHEBI:82024
    • XDE 511
    • XRD 511
    • MSK22505
    • DE 511
    • AKOS015903867
    • FD157149
    • NS00008689
    • Metosulam, PESTANAL(R), analytical standard
    • C18867
    • F17025
    • Q17124753
    • 2',6'-DICHLORO-5,7-DIMETHOXY-3'-METHYL(1,2,4)TRIAZOLO(1,5-A)PYRIMIDINE-2-SULFONANILIDE
    • G87
    • N-(2,6-dichloro-3-methyl-phenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
    • N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy-(1,2,4)-triazolo[1,5-a]-2-pyrimidinesulfonamide
    • N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide
    • N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide, 9CI
    • 139528-85-1

  • Applications

    Metosulam (CAS 139528-85-1) is a selective systemic herbicide in the sulfonamide class, used in agriculture to control common broadleaf weeds in cereals and some other crops; it is typically registered for use in cereals such as wheat, barley, and oats, applied as a foliar spray and often formulated in tank mixes with other herbicides as part of crop protection programs; as an active ingredient in commercial herbicide products, metosulam is used in accordance with local regulations and formulation limits to provide selective weed control compatible with integrated pest management.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.71
    methanol 2.3
    isopropanol 0.63
    water 0.01
    ethyl acetate 6.52
    n-propanol 1.3
    acetone 8.63
    n-butanol 0.98
    acetonitrile 6.82
    DMF 26.31
    toluene 0.58
    isobutanol 0.77
    1,4-dioxane 8.15
    methyl acetate 11.38
    THF 27.37
    2-butanone 12.01
    n-pentanol 0.75
    sec-butanol 0.99
    n-hexane 0.02
    ethylene glycol 1.42
    NMP 81.33
    cyclohexane 0.08
    DMSO 15.97
    n-butyl acetate 5.11
    n-octanol 0.48
    chloroform 9.06
    n-propyl acetate 5.18
    acetic acid 9.75
    dichloromethane 11.76
    cyclohexanone 18.75
    propylene glycol 1.45
    isopropyl acetate 2.53
    DMAc 59.09
    2-ethoxyethanol 6.67
    isopentanol 0.74
    n-heptane 0.04
    ethyl formate 9.32
    1,2-dichloroethane 5.03
    n-hexanol 0.76
    2-methoxyethanol 14.84
    isobutyl acetate 1.95
    tetrachloromethane 0.39
    n-pentyl acetate 3.38
    transcutol 8.91
    n-heptanol 0.66
    ethylbenzene 0.36
    MIBK 1.63
    2-propoxyethanol 8.44
    tert-butanol 0.48
    MTBE 0.62
    2-butoxyethanol 5.4
    propionic acid 5.17
    o-xylene 0.38
    formic acid 8.91
    diethyl ether 0.96
    m-xylene 0.24
    p-xylene 0.74
    chlorobenzene 1.91
    dimethyl carbonate 7.56
    n-octane 0.02
    formamide 14.63
    cyclopentanone 32.67
    2-pentanone 4.46
    anisole 2.44
    cyclopentyl methyl ether 2.96
    gamma-butyrolactone 46.34
    1-methoxy-2-propanol 5.77
    pyridine 17.17
    3-pentanone 4.56
    furfural 47.29
    n-dodecane 0.02
    diethylene glycol 8.48
    diisopropyl ether 0.14
    tert-amyl alcohol 0.83
    acetylacetone 9.96
    n-hexadecane 0.03
    acetophenone 6.27
    methyl propionate 8.1
    isopentyl acetate 3.54
    trichloroethylene 17.62
    n-nonanol 0.55
    cyclohexanol 1.39
    benzyl alcohol 3.52
    2-ethylhexanol 0.73
    isooctanol 0.53
    dipropyl ether 0.99
    1,2-dichlorobenzene 2.18
    ethyl lactate 5.01
    propylene carbonate 21.29
    n-methylformamide 13.3
    2-pentanol 0.4
    n-pentane 0.02
    1-propoxy-2-propanol 4.43
    1-methoxy-2-propyl acetate 7.26
    2-(2-methoxypropoxy) propanol 6.78
    mesitylene 0.12
    ε-caprolactone 20.79
    p-cymene 0.4
    epichlorohydrin 36.17
    1,1,1-trichloroethane 2.35
    2-aminoethanol 2.07
    morpholine-4-carbaldehyde 43.66
    sulfolane 45.96
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 10.1
    n-hexyl acetate 2.65
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 6.65
    sec-butyl acetate 2.37
    tert-butyl acetate 1.92
    decalin 0.03
    glycerin 4.9
    diglyme 13.98
    acrylic acid 7.68
    isopropyl myristate 1.04
    n-butyric acid 5.42
    acetyl acetate 5.3
    di(2-ethylhexyl) phthalate 2.61
    ethyl propionate 4.79
    nitromethane 35.6
    1,2-diethoxyethane 2.85
    benzonitrile 6.1
    trioctyl phosphate 1.44
    1-bromopropane 1.44
    gamma-valerolactone 54.24
    n-decanol 0.44
    triethyl phosphate 3.17
    4-methyl-2-pentanol 0.23
    propionitrile 4.32
    vinylene carbonate 18.45
    1,1,2-trichlorotrifluoroethane 35.4
    DMS 5.72
    cumene 0.22
    2-octanol 0.39
    2-hexanone 4.75
    octyl acetate 1.84
    limonene 0.55
    1,2-dimethoxyethane 13.67
    ethyl orthosilicate 2.21
    tributyl phosphate 1.92
    diacetone alcohol 4.14
    N,N-dimethylaniline 1.45
    acrylonitrile 9.35
    aniline 2.54
    1,3-propanediol 3.26
    bromobenzene 1.36
    dibromomethane 4.14
    1,1,2,2-tetrachloroethane 10.5
    2-methyl-cyclohexyl acetate 3.94
    tetrabutyl urea 3.8
    diisobutyl methanol 0.25
    2-phenylethanol 3.8
    styrene 0.56
    dioctyl adipate 3.04
    dimethyl sulfate 14.11
    ethyl butyrate 4.6
    methyl lactate 8.6
    butyl lactate 4.18
    diethyl carbonate 4.32
    propanediol butyl ether 3.5
    triethyl orthoformate 3.36
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 4.61
    morpholine 12.64
    tert-butylamine 0.17
    n-dodecanol 0.33
    dimethoxymethane 11.04
    ethylene carbonate 12.77
    cyrene 16.1
    2-ethoxyethyl acetate 6.84
    2-ethylhexyl acetate 3.11
    1,2,4-trichlorobenzene 4.43
    4-methylpyridine 10.2
    dibutyl ether 0.68
    2,6-dimethyl-4-heptanol 0.25
    DEF 10.91
    dimethyl isosorbide 15.65
    tetrachloroethylene 5.39
    eugenol 6.83
    triacetin 5.24
    span 80 4.25
    1,4-butanediol 1.16
    1,1-dichloroethane 2.66
    2-methyl-1-pentanol 0.79
    methyl formate 13.48
    2-methyl-1-butanol 0.97
    n-decane 0.03
    butyronitrile 3.25
    3,7-dimethyl-1-octanol 0.47
    1-chlorooctane 0.22
    1-chlorotetradecane 0.11
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 3.12
    tetrahydropyran 4.51
    tert-amyl methyl ether 0.81
    2,5,8-trioxanonane 10.65
    1-hexene 0.17
    2-isopropoxyethanol 3.48
    2,2,2-trifluoroethanol 5.76
    methyl butyrate 8.33

    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