Sulcotrione

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  • Identifiers

    CAS number
    99105-77-8

    Molecular formula
    C14H13ClO5S

    SMILES
    CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 53.55%
    Burnt 32.72%
    Roasted 29.97%
    Caramellic 26.57%
    Cooked 23.11%
    Nutty 21.97%
    Savory 20.76%
    Bitter 20.66%
    Popcorn 18.11%
    Fruity 17.54%

     

    Flavor
    Bitter 75.14%
    Odorless 31.13%
    Very mild 20.55%
    Nitrile 20.36%
    Taco 19.9%
    Bread crust 19.64%
    Roasted peanuts 19.42%
    Cedarleaf 18.93%
    Lovage 18.9%
    Bland 18.87%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.34 (weak acid)

    Molecular weight
    328.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    755°C

    Flash point

    • 252.75 ˚C est.

  • Synonyms

    • Sulcotrione
    • 99105-77-8
    • mikado
    • 5UEH9SXW7V
    • SC-0051
    • ICI-A-0051
    • 2-(2-chloro-4-mesylbenzoyl)cyclohexane-1,3-dione
    • 2-(2-Chloro-4-methanesulfonylbenzoyl)-1,3-cyclohexanedione
    • DTXSID9058230
    • CHEBI:83465
    • RefChem:186471
    • DTXCID8031998
    • 619-394-6
    • 680-283-0
    • 2-(2-Chloro-4-(methylsulfonyl)benzoyl)cyclohexane-1,3-dione
    • 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione
    • 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-
    • Sulcotrione [ISO]
    • 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione
    • 123174-48-1
    • 2-(2-CHLORO-4-METHYLSULFONYL-BENZOYL)CYCLOHEXANE-1,3-DIONE
    • 2-(2-chloro-4-(methylsulfonyl)benzoyl)-1,3-cyclohexanedione
    • Sulcotrione 100 microg/mL in Acetonitrile
    • 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
    • 1,3-Cyclohexanedione, 2-(2-chloro-4-(methylsulfonyl)benzoyl)-
    • C14H13ClO5S
    • 114680-61-4
    • UNII-5UEH9SXW7V
    • SC 0051
    • MFCD01632349
    • Sulcotrione (Standard)
    • SULCOTRIONE [MI]
    • SCHEMBL55030
    • orb1307716
    • CHEMBL2252422
    • SCHEMBL29565861
    • 2-(2-chloro-4-methanesulfonylbenzoyl)cyclohexane-1,3-dione
    • HMS3749K11
    • HMS6018N03
    • MSK22507
    • BDBM50075318
    • AKOS015960856
    • CS-7791
    • DS-6039
    • HY-107368R
    • AC-12558
    • DB-057759
    • HY-107368
    • NS00000264
    • C77376
    • Sulcotrione, PESTANAL(R), analytical standard
    • 105S778
    • Q22808904
    • 2-(2-Chloro-4-methanesulfonylbenzoyl)-cyclohexane -1,3-dione
    • 2-(2-Chloro-4-methanesulfonylbenzoyl)-cyclohexane-1,3-dione
    • 2-(2-Chloro-4-methanesulphonylbenzoyl)-1,3-cyclohexanedione
    • 2-[2-Chloro-4-(methanesulfonyl)benzoyl]cyclohexane-1,3-dione
    • 2-(2-Chloro-4-methanesulfonyl-benzoyl)-3-hydroxy-cyclohex-2-enone
    • 2-(2-CHLORO-4-(METHYLSULFONYL)BENZOYL)-3-HYDROXY-2-CYCLOHEXEN-1-ONE
    • 2-CYCLOHEXEN-1-ONE, 2-(2-CHLORO-4-(METHYLSULFONYL)BENZOYL)-3-HYDROXY-
    • 3-HYDROXY-2-(4-(METHYLSULFONYL)-2-CHLOROBENZOYL)-2-CYCLOHEXEN-1-ONE
    • 129233-47-2
    • 99105-77-8

  • Applications

    Sulcotrione (CAS number: 99105-77-8) is a herbicide active ingredient in the HPPD-inhibitor class, used for selective weed control in agricultural crops. It is formulated into commercial herbicide products to manage weeds in crop production, and is often employed as part of integrated weed management programs. The chemical is typically used in multi-active formulations and can be combined with other herbicides to broaden spectrum or tailor to specific crops and seasons. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.25
    methanol 15.88
    isopropanol 5.47
    water 0.05
    ethyl acetate 14.45
    n-propanol 8.02
    acetone 69.93
    n-butanol 6.43
    acetonitrile 38.38
    DMF 223.36
    toluene 3.28
    isobutanol 4.31
    1,4-dioxane 56.39
    methyl acetate 20.71
    THF 140.9
    2-butanone 40.59
    n-pentanol 5.88
    sec-butanol 5.4
    n-hexane 0.16
    ethylene glycol 4.84
    NMP 184.24
    cyclohexane 1.17
    DMSO 181.76
    n-butyl acetate 10.63
    n-octanol 2.69
    chloroform 41.04
    n-propyl acetate 14.25
    acetic acid 20.55
    dichloromethane 45.12
    cyclohexanone 75.12
    propylene glycol 6.35
    isopropyl acetate 10.23
    DMAc 212.83
    2-ethoxyethanol 33.86
    isopentanol 5.11
    n-heptane 0.19
    ethyl formate 21.96
    1,2-dichloroethane 30.96
    n-hexanol 3.74
    2-methoxyethanol 76.81
    isobutyl acetate 6.49
    tetrachloromethane 1.3
    n-pentyl acetate 5.98
    transcutol 63.88
    n-heptanol 2.56
    ethylbenzene 3.18
    MIBK 13.5
    2-propoxyethanol 28.78
    tert-butanol 5.48
    MTBE 2.67
    2-butoxyethanol 12.46
    propionic acid 10.52
    o-xylene 2.96
    formic acid 18.94
    diethyl ether 8.33
    m-xylene 1.99
    p-xylene 4.55
    chlorobenzene 9.22
    dimethyl carbonate 22.49
    n-octane 0.13
    formamide 60.05
    cyclopentanone 111.02
    2-pentanone 26.26
    anisole 19.97
    cyclopentyl methyl ether 21.03
    gamma-butyrolactone 101.97
    1-methoxy-2-propanol 48.15
    pyridine 44.3
    3-pentanone 21.82
    furfural 96.47
    n-dodecane 0.18
    diethylene glycol 33.26
    diisopropyl ether 1.4
    tert-amyl alcohol 4.46
    acetylacetone 54.11
    n-hexadecane 0.22
    acetophenone 27.66
    methyl propionate 21.5
    isopentyl acetate 9.27
    trichloroethylene 68.34
    n-nonanol 3.1
    cyclohexanol 10.04
    benzyl alcohol 17.97
    2-ethylhexanol 3.18
    isooctanol 2.28
    dipropyl ether 6.12
    1,2-dichlorobenzene 11.03
    ethyl lactate 16.3
    propylene carbonate 39.85
    n-methylformamide 67.84
    2-pentanol 3.07
    n-pentane 0.13
    1-propoxy-2-propanol 18.27
    1-methoxy-2-propyl acetate 23.53
    2-(2-methoxypropoxy) propanol 26.04
    mesitylene 1.37
    ε-caprolactone 43.61
    p-cymene 2.21
    epichlorohydrin 98.07
    1,1,1-trichloroethane 9.67
    2-aminoethanol 8.35
    morpholine-4-carbaldehyde 147.06
    sulfolane 149.13
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 33.2
    n-hexyl acetate 7.68
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 26.56
    sec-butyl acetate 7.97
    tert-butyl acetate 11.33
    decalin 0.44
    glycerin 20.38
    diglyme 59.61
    acrylic acid 14.2
    isopropyl myristate 4.59
    n-butyric acid 14.19
    acetyl acetate 15.3
    di(2-ethylhexyl) phthalate 8.29
    ethyl propionate 15.04
    nitromethane 93.3
    1,2-diethoxyethane 15.41
    benzonitrile 22.02
    trioctyl phosphate 4.63
    1-bromopropane 7.91
    gamma-valerolactone 143.65
    n-decanol 2.53
    triethyl phosphate 10.2
    4-methyl-2-pentanol 2.21
    propionitrile 20.69
    vinylene carbonate 36.98
    1,1,2-trichlorotrifluoroethane 68.78
    DMS 15.97
    cumene 2.09
    2-octanol 1.7
    2-hexanone 19.97
    octyl acetate 5.75
    limonene 3.29
    1,2-dimethoxyethane 86.65
    ethyl orthosilicate 8.08
    tributyl phosphate 6.86
    diacetone alcohol 24.7
    N,N-dimethylaniline 14.24
    acrylonitrile 34.56
    aniline 12.49
    1,3-propanediol 14.89
    bromobenzene 7.2
    dibromomethane 20.77
    1,1,2,2-tetrachloroethane 49.42
    2-methyl-cyclohexyl acetate 13.62
    tetrabutyl urea 14.68
    diisobutyl methanol 2.39
    2-phenylethanol 14.08
    styrene 4.97
    dioctyl adipate 11.7
    dimethyl sulfate 49.3
    ethyl butyrate 13.89
    methyl lactate 30.4
    butyl lactate 10.56
    diethyl carbonate 10.9
    propanediol butyl ether 13.17
    triethyl orthoformate 11.08
    p-tert-butyltoluene 1.82
    methyl 4-tert-butylbenzoate 17.28
    morpholine 66.48
    tert-butylamine 2.14
    n-dodecanol 2.03
    dimethoxymethane 81.69
    ethylene carbonate 28.76
    cyrene 46.57
    2-ethoxyethyl acetate 13.37
    2-ethylhexyl acetate 7.27
    1,2,4-trichlorobenzene 16.03
    4-methylpyridine 32.67
    dibutyl ether 4.46
    2,6-dimethyl-4-heptanol 2.39
    DEF 46.11
    dimethyl isosorbide 53.93
    tetrachloroethylene 22.27
    eugenol 22.06
    triacetin 18.23
    span 80 16.34
    1,4-butanediol 6.61
    1,1-dichloroethane 12.11
    2-methyl-1-pentanol 5.18
    methyl formate 56.37
    2-methyl-1-butanol 4.77
    n-decane 0.27
    butyronitrile 18.04
    3,7-dimethyl-1-octanol 3.08
    1-chlorooctane 1.5
    1-chlorotetradecane 0.83
    n-nonane 0.21
    undecane 0.21
    tert-butylcyclohexane 0.22
    cyclooctane 0.21
    cyclopentanol 15.32
    tetrahydropyran 29.88
    tert-amyl methyl ether 3.77
    2,5,8-trioxanonane 51.78
    1-hexene 1.46
    2-isopropoxyethanol 16.77
    2,2,2-trifluoroethanol 13.79
    methyl butyrate 23.33

    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