Tritosulfuron

Overview IFRA Request a quote

  • Identifiers

    CAS number
    142469-14-5

    Molecular formula
    C13H9F6N5O4S

    SMILES
    COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(F)(F)F

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 71.43%
    Savory 27.47%
    Cooling 23.32%
    Cooked 21.35%
    Meaty 19.79%
    Grape 17.38%
    Bitter 16.98%
    Milky 16.56%
    Fresh 14.25%
    Roasted 14.04%

     

    Flavor
    Bitter 77.11%
    Odorless 42.27%
    Bland 28.1%
    Mild 19.75%
    Sweet-like 18.66%
    Nitrile 18.58%
    Taco 17.77%
    Roasted peanuts 17.67%
    Bread crust 17.58%
    Scallion 17.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    4.16 (weak acid)

    Molecular weight
    445.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    708°C

    Flash point

    • 121.02 ˚C est.

  • Synonyms

    • Tritosulfuron
    • 142469-14-5
    • U9927AJG71
    • DTXSID9057975
    • CHEBI:83500
    • 1-(4-METHOXY-6-(TRIFLUOROMETHYL)-1,3,5-TRIAZIN-2-YL)-3-(2-(TRIFLUOROMETHYL)BENZENESULFONYL)UREA
    • 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]urea
    • RefChem:192206
    • DTXCID7031743
    • N-((4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl)carbamoyl)-2-(trifluoromethyl)benzenesulfonamide
    • Tritosulfuron [ISO]
    • UNII-U9927AJG71
    • 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea
    • MFCD06798291
    • Benzenesulfonamide,N-[[[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]carbonyl]-2-(trifluoromethyl)-
    • N-[(4-Methoxy-6-trifluoromethyl-1,3,5-triazin-2-yl)aminocarbonyl]-2-(trifluoromethyl)benzenesulfonamide
    • N-((4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl)-carbamoyl)-2-(trifluoromethyl)benzenesulfonamide
    • BIATHLON
    • TRITOSULFURON PESTANAL
    • C13H9F6N5O4S
    • BAS-635
    • N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide
    • TOOLER
    • TRITOSULFURON [MI]
    • TRITOSULFURON PESTANAL
    • SCHEMBL53993
    • SCHEMBL29508588
    • SCHEMBL30116869
    • KVEQCVKVIFQSGC-UHFFFAOYSA-M
    • MSK22312
    • AKOS015895928
    • 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonyl-urea
    • NS00000377
    • Tritosulfuron, PESTANAL(R), analytical standard
    • Q63409344
    • N-(((4-METHOXY-6-(TRIFLUOROMETHYL)-1,3,5-TRIAZIN-2-YL)AMINO)CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
    • N-{[4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzene-1-sulfonamide
    • 142469-14-5

  • Applications

    Tritosulfuron (CAS 142469-14-5) is a sulfonylurea herbicide used as an active ingredient in agricultural weed-control products. It inhibits the ALS enzyme (acetolactate synthase), providing selective control of many broadleaf and grassy weeds in cereal crops and some other crops. It is commonly formulated in herbicide products as water-dispersible formulations, suspensions, or emulsifiable concentrates for field use. Real-world applications include: acting as the active ingredient in selective herbicide formulations for cereals; supporting crop protection product development; use in agricultural research to study ALS inhibition and plant-weed interactions; formulation optimization and compatibility with adjuvants; and regulatory/environmental risk assessment related to residue and environmental fate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.54
    methanol 9.13
    isopropanol 1.61
    water 0.04
    ethyl acetate 10.66
    n-propanol 2.87
    acetone 16.04
    n-butanol 2.07
    acetonitrile 7.09
    DMF 25.27
    toluene 1.46
    isobutanol 1.13
    1,4-dioxane 11.76
    methyl acetate 13.18
    THF 28.67
    2-butanone 16.5
    n-pentanol 0.96
    sec-butanol 1.8
    n-hexane 0.03
    ethylene glycol 1.28
    NMP 54.15
    cyclohexane 0.09
    DMSO 96.3
    n-butyl acetate 5.2
    n-octanol 0.55
    chloroform 3.07
    n-propyl acetate 4.11
    acetic acid 7.51
    dichloromethane 6.55
    cyclohexanone 14.24
    propylene glycol 1.07
    isopropyl acetate 3.47
    DMAc 42.28
    2-ethoxyethanol 7.92
    isopentanol 1.18
    n-heptane 0.05
    ethyl formate 9.11
    1,2-dichloroethane 5.33
    n-hexanol 1.0
    2-methoxyethanol 19.82
    isobutyl acetate 0.76
    tetrachloromethane 0.25
    n-pentyl acetate 2.52
    transcutol 7.64
    n-heptanol 0.78
    ethylbenzene 0.4
    MIBK 2.3
    2-propoxyethanol 8.79
    tert-butanol 1.19
    MTBE 1.47
    2-butoxyethanol 4.53
    propionic acid 4.16
    o-xylene 0.92
    formic acid 8.17
    diethyl ether 3.8
    m-xylene 0.46
    p-xylene 0.41
    chlorobenzene 1.08
    dimethyl carbonate 6.56
    n-octane 0.03
    formamide 18.47
    cyclopentanone 24.05
    2-pentanone 7.85
    anisole 2.58
    cyclopentyl methyl ether 3.64
    gamma-butyrolactone 28.61
    1-methoxy-2-propanol 7.99
    pyridine 13.58
    3-pentanone 7.7
    furfural 26.43
    n-dodecane 0.03
    diethylene glycol 6.59
    diisopropyl ether 0.34
    tert-amyl alcohol 1.55
    acetylacetone 11.48
    n-hexadecane 0.03
    acetophenone 4.21
    methyl propionate 11.16
    isopentyl acetate 2.73
    trichloroethylene 7.33
    n-nonanol 0.63
    cyclohexanol 1.35
    benzyl alcohol 1.96
    2-ethylhexanol 0.62
    isooctanol 0.46
    dipropyl ether 1.76
    1,2-dichlorobenzene 1.01
    ethyl lactate 2.68
    propylene carbonate 9.15
    n-methylformamide 14.96
    2-pentanol 0.84
    n-pentane 0.06
    1-propoxy-2-propanol 4.4
    1-methoxy-2-propyl acetate 6.66
    2-(2-methoxypropoxy) propanol 4.69
    mesitylene 0.2
    ε-caprolactone 14.52
    p-cymene 0.44
    epichlorohydrin 25.03
    1,1,1-trichloroethane 1.28
    2-aminoethanol 2.15
    morpholine-4-carbaldehyde 30.91
    sulfolane 41.19
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 11.14
    n-hexyl acetate 2.2
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.38
    sec-butyl acetate 1.87
    tert-butyl acetate 2.77
    decalin 0.03
    glycerin 2.89
    diglyme 12.21
    acrylic acid 4.35
    isopropyl myristate 0.88
    n-butyric acid 4.71
    acetyl acetate 5.66
    di(2-ethylhexyl) phthalate 1.44
    ethyl propionate 5.44
    nitromethane 33.25
    1,2-diethoxyethane 3.61
    benzonitrile 2.36
    trioctyl phosphate 0.86
    1-bromopropane 1.97
    gamma-valerolactone 41.11
    n-decanol 0.5
    triethyl phosphate 2.55
    4-methyl-2-pentanol 0.35
    propionitrile 4.29
    vinylene carbonate 7.73
    1,1,2-trichlorotrifluoroethane 11.47
    DMS 3.85
    cumene 0.19
    2-octanol 0.39
    2-hexanone 3.84
    octyl acetate 1.57
    limonene 0.61
    1,2-dimethoxyethane 17.41
    ethyl orthosilicate 1.75
    tributyl phosphate 0.98
    diacetone alcohol 4.57
    N,N-dimethylaniline 1.27
    acrylonitrile 6.67
    aniline 2.53
    1,3-propanediol 4.23
    bromobenzene 0.87
    dibromomethane 3.33
    1,1,2,2-tetrachloroethane 4.94
    2-methyl-cyclohexyl acetate 2.55
    tetrabutyl urea 2.39
    diisobutyl methanol 0.28
    2-phenylethanol 2.33
    styrene 0.52
    dioctyl adipate 2.03
    dimethyl sulfate 13.2
    ethyl butyrate 4.93
    methyl lactate 6.06
    butyl lactate 2.12
    diethyl carbonate 3.64
    propanediol butyl ether 1.86
    triethyl orthoformate 3.03
    p-tert-butyltoluene 0.34
    methyl 4-tert-butylbenzoate 3.61
    morpholine 14.18
    tert-butylamine 0.42
    n-dodecanol 0.36
    dimethoxymethane 16.97
    ethylene carbonate 6.25
    cyrene 7.04
    2-ethoxyethyl acetate 5.68
    2-ethylhexyl acetate 2.32
    1,2,4-trichlorobenzene 1.79
    4-methylpyridine 8.27
    dibutyl ether 0.78
    2,6-dimethyl-4-heptanol 0.28
    DEF 11.96
    dimethyl isosorbide 9.96
    tetrachloroethylene 2.86
    eugenol 3.26
    triacetin 3.32
    span 80 2.47
    1,4-butanediol 0.93
    1,1-dichloroethane 1.87
    2-methyl-1-pentanol 0.77
    methyl formate 13.65
    2-methyl-1-butanol 1.41
    n-decane 0.04
    butyronitrile 3.41
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.25
    1-chlorotetradecane 0.12
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 2.12
    tetrahydropyran 6.07
    tert-amyl methyl ether 1.87
    2,5,8-trioxanonane 9.79
    1-hexene 0.2
    2-isopropoxyethanol 2.97
    2,2,2-trifluoroethanol 3.38
    methyl butyrate 6.8

    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