Tribenuron

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  • Identifiers

    CAS number
    106040-48-6

    Molecular formula
    C14H15N5O6S

    SMILES
    CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 77.03%
    Savory 26.24%
    Cooked 25.15%
    Roasted 21.53%
    Grape 20.73%
    Meaty 20.41%
    Bitter 17.85%
    Milky 17.13%
    Cooling 16.05%
    Sulfurous 14.98%

     

    Flavor
    Bitter 79.57%
    Odorless 42.32%
    Bland 26.91%
    Very mild 20.27%
    Mild 20.24%
    Nitrile 19.09%
    Taco 18.69%
    Roasted peanuts 18.62%
    Bread crust 18.46%
    Sweet-like 18.43%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    3.18 (weak acid)

    Molecular weight
    381.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1016°C

    Flash point

    • 249.77 ˚C est.

  • Synonyms

    • Tribenuron
    • 106040-48-6
    • Tribenuron [ISO]
    • UNII-S929E7O41Q
    • S929E7O41Q
    • CHEBI:83571
    • DTXSID20147486
    • 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid
    • 2-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl)sulfamoyl)benzoic acid
    • RefChem:190880
    • DTXCID4069977
    • 2-(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL)BENZOIC ACID
    • 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoic acid
    • SCHEMBL66383
    • orb1691994
    • SCHEMBL29368060
    • GEA04048
    • AKOS015901091
    • AC-18021
    • DA-68320
    • HY-136357
    • CS-0128661
    • C18900
    • 040T486
    • Q27105095
    • 2-(((((4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)METHYLAMINO)CARBONYL)AMINO)SULFONYL)BENZOIC ACID
    • 2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-benzoic Acid;
    • Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-
    • 106040-48-6

  • Applications

    Tribenuron (CAS 106040-48-6) is a sulfonylurea herbicide used primarily in agriculture as an active ingredient in selective weed-control products, targeting broadleaf weeds in cereal crops such as wheat and barley and in certain oilseed crops, applied post-emergence according to label directions; it inhibits acetolactate synthase (ALS) in susceptible plants, enabling selective weed control within crop protection programs as part of integrated weed management; it is commonly formulated with other actives and adjuvants to yield tank-mixed products and to fit crop-rotation strategies; in the agrochemical industry it is handled and supplied as an active ingredient for formulators, and it is often evaluated in research and development for formulation optimization of ALS-inhibitor herbicides; usage is subject to local regulations and label requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.28
    methanol 0.45
    isopropanol 0.06
    water 0.01
    ethyl acetate 0.24
    n-propanol 0.18
    acetone 0.33
    n-butanol 0.13
    acetonitrile 0.37
    DMF 1.71
    toluene 0.05
    isobutanol 0.07
    1,4-dioxane 0.54
    methyl acetate 0.43
    THF 1.56
    2-butanone 0.82
    n-pentanol 0.08
    sec-butanol 0.1
    n-hexane 0.0
    ethylene glycol 0.14
    NMP 11.17
    cyclohexane 0.0
    DMSO 8.6
    n-butyl acetate 0.33
    n-octanol 0.04
    chloroform 0.37
    n-propyl acetate 0.23
    acetic acid 0.36
    dichloromethane 0.62
    cyclohexanone 1.41
    propylene glycol 0.14
    isopropyl acetate 0.08
    DMAc 6.74
    2-ethoxyethanol 0.72
    isopentanol 0.08
    n-heptane 0.0
    ethyl formate 0.79
    1,2-dichloroethane 0.39
    n-hexanol 0.06
    2-methoxyethanol 1.7
    isobutyl acetate 0.07
    tetrachloromethane 0.03
    n-pentyl acetate 0.14
    transcutol 0.45
    n-heptanol 0.06
    ethylbenzene 0.04
    MIBK 0.12
    2-propoxyethanol 0.95
    tert-butanol 0.05
    MTBE 0.03
    2-butoxyethanol 0.52
    propionic acid 0.29
    o-xylene 0.04
    formic acid 1.32
    diethyl ether 0.06
    m-xylene 0.03
    p-xylene 0.06
    chlorobenzene 0.11
    dimethyl carbonate 0.35
    n-octane 0.0
    formamide 2.3
    cyclopentanone 2.36
    2-pentanone 0.31
    anisole 0.16
    cyclopentyl methyl ether 0.15
    gamma-butyrolactone 3.23
    1-methoxy-2-propanol 0.52
    pyridine 1.42
    3-pentanone 0.34
    furfural 4.87
    n-dodecane 0.0
    diethylene glycol 1.03
    diisopropyl ether 0.01
    tert-amyl alcohol 0.08
    acetylacetone 0.44
    n-hexadecane 0.0
    acetophenone 0.43
    methyl propionate 0.44
    isopentyl acetate 0.23
    trichloroethylene 0.84
    n-nonanol 0.04
    cyclohexanol 0.08
    benzyl alcohol 0.24
    2-ethylhexanol 0.05
    isooctanol 0.04
    dipropyl ether 0.06
    1,2-dichlorobenzene 0.15
    ethyl lactate 0.34
    propylene carbonate 1.13
    n-methylformamide 1.36
    2-pentanol 0.03
    n-pentane 0.0
    1-propoxy-2-propanol 0.38
    1-methoxy-2-propyl acetate 0.42
    2-(2-methoxypropoxy) propanol 0.74
    mesitylene 0.01
    ε-caprolactone 1.38
    p-cymene 0.04
    epichlorohydrin 2.92
    1,1,1-trichloroethane 0.1
    2-aminoethanol 0.26
    morpholine-4-carbaldehyde 3.49
    sulfolane 7.44
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.48
    n-hexyl acetate 0.11
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.53
    sec-butyl acetate 0.09
    tert-butyl acetate 0.09
    decalin 0.0
    glycerin 0.57
    diglyme 1.25
    acrylic acid 0.43
    isopropyl myristate 0.05
    n-butyric acid 0.33
    acetyl acetate 0.15
    di(2-ethylhexyl) phthalate 0.24
    ethyl propionate 0.3
    nitromethane 1.71
    1,2-diethoxyethane 0.13
    benzonitrile 0.45
    trioctyl phosphate 0.13
    1-bromopropane 0.13
    gamma-valerolactone 5.1
    n-decanol 0.03
    triethyl phosphate 0.38
    4-methyl-2-pentanol 0.02
    propionitrile 0.39
    vinylene carbonate 1.16
    1,1,2-trichlorotrifluoroethane 2.06
    DMS 0.24
    cumene 0.02
    2-octanol 0.03
    2-hexanone 0.32
    octyl acetate 0.09
    limonene 0.04
    1,2-dimethoxyethane 1.54
    ethyl orthosilicate 0.24
    tributyl phosphate 0.16
    diacetone alcohol 0.34
    N,N-dimethylaniline 0.12
    acrylonitrile 0.76
    aniline 0.15
    1,3-propanediol 0.43
    bromobenzene 0.08
    dibromomethane 0.29
    1,1,2,2-tetrachloroethane 0.56
    2-methyl-cyclohexyl acetate 0.27
    tetrabutyl urea 0.37
    diisobutyl methanol 0.02
    2-phenylethanol 0.26
    styrene 0.04
    dioctyl adipate 0.18
    dimethyl sulfate 1.23
    ethyl butyrate 0.36
    methyl lactate 0.58
    butyl lactate 0.25
    diethyl carbonate 0.35
    propanediol butyl ether 0.26
    triethyl orthoformate 0.27
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.47
    morpholine 0.82
    tert-butylamine 0.01
    n-dodecanol 0.02
    dimethoxymethane 0.72
    ethylene carbonate 0.76
    cyrene 1.92
    2-ethoxyethyl acetate 0.3
    2-ethylhexyl acetate 0.21
    1,2,4-trichlorobenzene 0.24
    4-methylpyridine 0.75
    dibutyl ether 0.04
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.85
    dimethyl isosorbide 1.88
    tetrachloroethylene 0.31
    eugenol 0.66
    triacetin 0.24
    span 80 0.3
    1,4-butanediol 0.13
    1,1-dichloroethane 0.1
    2-methyl-1-pentanol 0.07
    methyl formate 1.1
    2-methyl-1-butanol 0.11
    n-decane 0.0
    butyronitrile 0.32
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.17
    tetrahydropyran 0.23
    tert-amyl methyl ether 0.06
    2,5,8-trioxanonane 1.22
    1-hexene 0.02
    2-isopropoxyethanol 0.23
    2,2,2-trifluoroethanol 0.4
    methyl butyrate 0.52

    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