Fluthiacet-methyl

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  • Identifiers

    CAS number
    117337-19-6

    Molecular formula
    C15H15ClFN3O3S2

    SMILES
    COC(=O)CSC1=C(C=C(C(=C1)N=C2N3CCCCN3C(=O)S2)F)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 53.3%
    Roasted 43.87%
    Meaty 42.37%
    Cooked 33.71%
    Savory 31.2%
    Nutty 24.27%
    Burnt 21.75%
    Popcorn 19.03%
    Beefy 17.25%
    Grape 16.88%

     

    Flavor
    Bitter 82.12%
    Odorless 33.1%
    Roasted 23.11%
    Bland 22.26%
    Taco 19.86%
    Scallion 19.63%
    Bread crust 19.6%
    Nitrile 19.35%
    Sweet-like 19.33%
    Roasted peanuts 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.89 (weak acid)

    Molecular weight
    403.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    722°C

    Melting point expt.

    • 104.6 °C

    Flash point

    • 218.79 ˚C est.

    Solubility expt.

    • In methanol 4.41, acetone 101, toluene 84, n-octanol 1.86, acetonitrile 68.7, ethyl acetate 73.5, dichloromethane 9 (all in g/L at 25 °C); in n-hexane 0.232 g/L at 20 °C.
    • In water 0.85 (distilled), 0.78 (pH 5 and 7) mg/L at 25 °C.

  • Synonyms

    • Fluthiacet-methyl
    • 117337-19-6
    • Action
    • Fluthiacet-methyl [ISO]
    • KIH 9201
    • HSDB 7270
    • CGA 248757
    • methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate
    • 7C989JK2XB
    • CHEBI:5133
    • DTXSID2032556
    • FLUTHIACETMETHYL
    • KIH-9201
    • CGA-248757
    • FLUTHIACET METHYL ESTER
    • FLUTHIACET-METHYL [MI]
    • FLUTHIACET-METHYL [HSDB]
    • Fluthiacet-?methyl
    • Fluthiacet-methyl 100 microg/mL in Acetonitrile
    • Acetic acid, ((2-chloro-4-fluoro-5-((tetrahydro-3-oxo-1H,3H-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)thio)-, methyl ester
    • 2-((2-CHLORO-4-FLUORO-5-((TETRAHYDRO-3-OXO-1H,3H-(1,3,4)THIADIAZOLO(3,4-A)PYRIDAZIN-1-YLIDENE)AMINO)PHENYL)THIO)ACETIC ACID METHYL ESTER
    • 9-(4-CHLORO-2-FLUORO-5-METHOXYCARBONYLMETHYLTHIOPHENYLIMINO)-8-THIA-1,6-DIAZABICYCLO-(4.3.0)NONANE-7-ONE
    • ACETIC ACID, 2-((2-CHLORO-4-FLUORO-5-((TETRAHYDRO-3-OXO-1H,3H-(1,3,4)THIADIAZOLO(3,4-A)PYRIDAZIN-1-YLIDENE)AMINO)PHENYL)THIO)-, METHYL ESTER
    • Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester
    • methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxo-5,6,7,8-tetrahydro-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate
    • methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate
    • methyl [(2-chloro-4-fluoro-5-{[(1Z)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate
    • methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetate
    • UNII-7C989JK2XB
    • methyl ((2-chloro-4-fluoro-5-(((1Xi)-3-oxo-5,6,7,8-tetrahydro-1H,3H-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)sulfanyl)acetate
    • methyl ((2-chloro-4-fluoro-5-(((1Xi)-3-oxotetrahydro(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)thio)acetate
    • Methyl ((2-chloro-4-fluoro-5-(((1Z)-3-oxotetrahydro(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)sulfanyl)acetate
    • Methyl ((2-chloro-4-fluoro-5-(((1Z)-3-oxotetrahydro(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)thio)acetate
    • Methyl ((2-chloro-4-fluoro-5-((tetrahydro-3-oxo-1H,3H-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)thio)acetate
    • Methyl ((2-chloro-4-fluoro-5-((tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino)phenyl)thio)acetate
    • Methyl ((2-chloro-4-fluoro-5-((Z)-(3-oxotetrahydro(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)sulfanyl)acetate
    • Methyl ({2-chloro-4-fluoro-5-[(Z)-(3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl}sulfanyl)acetate
    • Methyl [(2-chloro-4-fluoro-5-{[(1Z)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate
    • methyl 2-((2-chloro-4-fluoro-5-(((1Z)-3-oxo-hexahydro-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)sulfanyl)acetate
    • methyl 2-((2-chloro-4-fluoro-5-((tetrahydro-3-oxo-1H,3H-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)thio)acetate
    • Methyl 2-(2-chloro-4-fluoro-5-((3-oxo-5,6,7,8-tetrahydro-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)sulfanylacetate
    • methyl 2-[(2-chloro-4-fluoro-5-{[(1Z)-3-oxo-hexahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate
    • SCHEMBL39080
    • SCHEMBL8437784
    • SCHEMBL9048322
    • CHEMBL1864812
    • DTXCID0012556
    • DTXCID80810407
    • ZCNQYNHDVRPZIH-UHFFFAOYSA-N
    • 3,3?-Dihexyloxacarbocyanine Iodide
    • Tox21_300834
    • USEPA/OPP Pesticide Code: 108803
    • NCGC00168312-01
    • NCGC00168312-02
    • NCGC00254738-01
    • Methyl {2-chloro-4-fluoro-5-[(EZ)-5,6,7,8-tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylideneamino]phenylthio}acetate
    • DB-041364
    • CAS-117337-19-6
    • NS00003833
    • Q1434399
    • Fluthiacet-methyl, PESTANAL(R), analytical standard
    • 9-(4-chloro-2-fluoro-5-methoxycarbonylmethylthiophenylimino)-8-thia-1,6-diazabicyclo-
    • 601-473-1
    • Acetic acid, ((2chloro4fluoro5((tetrahydro3oxo1H,3H(1,3,4)thiadiazolo(3,4a)pyridazin1ylidene)amino)phenyl)thio), methyl ester
    • Methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-yliden

  • Applications

    Fluthiacet-methyl (CAS 117337-19-6) is primarily used as an active ingredient in herbicide products for agriculture to control annual grasses and some broadleaf weeds in commercial crops. It is commonly formulated in emulsifiable concentrates (EC) or water-dispersible granules (WG) for field applications. It is also used in turf and landscape weed control on lawns, sports turf, and ornamental sites. It may be employed in vegetation management around non-crop areas, such as rights-of-way and around infrastructure. It is typically included in crop protection product formulations and may be evaluated in research and development programs for herbicide formulation and optimization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.65
    methanol 10.09
    isopropanol 4.59
    water 0.02
    ethyl acetate 29.58
    n-propanol 6.73
    acetone 60.24
    n-butanol 7.1
    acetonitrile 36.33
    DMF 162.52
    toluene 5.84
    isobutanol 5.2
    1,4-dioxane 50.82
    methyl acetate 37.22
    THF 110.95
    2-butanone 52.82
    n-pentanol 7.05
    sec-butanol 5.91
    n-hexane 0.07
    ethylene glycol 4.56
    NMP 151.43
    cyclohexane 0.3
    DMSO 114.41
    n-butyl acetate 21.71
    n-octanol 1.99
    chloroform 62.33
    n-propyl acetate 25.14
    acetic acid 41.35
    dichloromethane 79.19
    cyclohexanone 92.9
    propylene glycol 4.5
    isopropyl acetate 16.27
    DMAc 211.56
    2-ethoxyethanol 43.57
    isopentanol 7.46
    n-heptane 0.13
    ethyl formate 31.52
    1,2-dichloroethane 39.27
    n-hexanol 4.49
    2-methoxyethanol 74.72
    isobutyl acetate 12.03
    tetrachloromethane 2.93
    n-pentyl acetate 15.56
    transcutol 102.01
    n-heptanol 3.52
    ethylbenzene 2.81
    MIBK 15.63
    2-propoxyethanol 38.47
    tert-butanol 5.27
    MTBE 4.49
    2-butoxyethanol 24.22
    propionic acid 17.59
    o-xylene 3.77
    formic acid 25.96
    diethyl ether 5.95
    m-xylene 2.99
    p-xylene 5.18
    chlorobenzene 16.54
    dimethyl carbonate 28.08
    n-octane 0.08
    formamide 55.85
    cyclopentanone 106.01
    2-pentanone 30.83
    anisole 17.67
    cyclopentyl methyl ether 13.7
    gamma-butyrolactone 111.93
    1-methoxy-2-propanol 37.94
    pyridine 69.82
    3-pentanone 24.18
    furfural 148.75
    n-dodecane 0.13
    diethylene glycol 43.81
    diisopropyl ether 1.25
    tert-amyl alcohol 6.44
    acetylacetone 67.73
    n-hexadecane 0.16
    acetophenone 34.53
    methyl propionate 29.67
    isopentyl acetate 18.22
    trichloroethylene 116.95
    n-nonanol 2.67
    cyclohexanol 9.94
    benzyl alcohol 26.18
    2-ethylhexanol 3.95
    isooctanol 3.38
    dipropyl ether 4.81
    1,2-dichlorobenzene 17.45
    ethyl lactate 22.12
    propylene carbonate 59.78
    n-methylformamide 55.61
    2-pentanol 3.37
    n-pentane 0.08
    1-propoxy-2-propanol 23.68
    1-methoxy-2-propyl acetate 35.26
    2-(2-methoxypropoxy) propanol 39.9
    mesitylene 1.48
    ε-caprolactone 68.12
    p-cymene 2.78
    epichlorohydrin 140.46
    1,1,1-trichloroethane 21.57
    2-aminoethanol 8.03
    morpholine-4-carbaldehyde 157.74
    sulfolane 135.94
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 32.73
    n-hexyl acetate 11.96
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 43.34
    sec-butyl acetate 13.96
    tert-butyl acetate 14.73
    decalin 0.2
    glycerin 18.06
    diglyme 87.45
    acrylic acid 25.2
    isopropyl myristate 6.8
    n-butyric acid 27.18
    acetyl acetate 29.23
    di(2-ethylhexyl) phthalate 14.62
    ethyl propionate 21.27
    nitromethane 136.34
    1,2-diethoxyethane 24.73
    benzonitrile 41.57
    trioctyl phosphate 7.46
    1-bromopropane 8.31
    gamma-valerolactone 185.19
    n-decanol 2.36
    triethyl phosphate 14.2
    4-methyl-2-pentanol 2.61
    propionitrile 23.29
    vinylene carbonate 62.55
    1,1,2-trichlorotrifluoroethane 107.11
    DMS 26.03
    cumene 1.9
    2-octanol 2.02
    2-hexanone 25.09
    octyl acetate 9.61
    limonene 3.5
    1,2-dimethoxyethane 86.44
    ethyl orthosilicate 11.29
    tributyl phosphate 10.4
    diacetone alcohol 30.25
    N,N-dimethylaniline 10.37
    acrylonitrile 46.96
    aniline 18.54
    1,3-propanediol 17.19
    bromobenzene 13.25
    dibromomethane 29.5
    1,1,2,2-tetrachloroethane 66.62
    2-methyl-cyclohexyl acetate 18.4
    tetrabutyl urea 19.12
    diisobutyl methanol 2.48
    2-phenylethanol 22.25
    styrene 4.37
    dioctyl adipate 17.24
    dimethyl sulfate 52.36
    ethyl butyrate 20.77
    methyl lactate 32.94
    butyl lactate 20.04
    diethyl carbonate 18.3
    propanediol butyl ether 17.74
    triethyl orthoformate 16.11
    p-tert-butyltoluene 2.15
    methyl 4-tert-butylbenzoate 26.97
    morpholine 62.88
    tert-butylamine 1.87
    n-dodecanol 1.96
    dimethoxymethane 66.36
    ethylene carbonate 47.96
    cyrene 57.42
    2-ethoxyethyl acetate 36.51
    2-ethylhexyl acetate 14.36
    1,2,4-trichlorobenzene 26.6
    4-methylpyridine 55.45
    dibutyl ether 4.18
    2,6-dimethyl-4-heptanol 2.48
    DEF 49.46
    dimethyl isosorbide 70.91
    tetrachloroethylene 31.14
    eugenol 35.75
    triacetin 30.67
    span 80 24.74
    1,4-butanediol 8.52
    1,1-dichloroethane 24.11
    2-methyl-1-pentanol 8.16
    methyl formate 52.17
    2-methyl-1-butanol 6.95
    n-decane 0.17
    butyronitrile 21.23
    3,7-dimethyl-1-octanol 3.13
    1-chlorooctane 1.22
    1-chlorotetradecane 0.77
    n-nonane 0.12
    undecane 0.14
    tert-butylcyclohexane 0.12
    cyclooctane 0.08
    cyclopentanol 12.98
    tetrahydropyran 23.55
    tert-amyl methyl ether 5.14
    2,5,8-trioxanonane 74.09
    1-hexene 0.77
    2-isopropoxyethanol 23.99
    2,2,2-trifluoroethanol 25.28
    methyl butyrate 33.59

    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