Triallate

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  • Identifiers

    CAS number
    2303-17-5

    Molecular formula
    C10H16Cl3NOS

    SMILES
    CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Cooling 36.15%
    Mint 34.44%
    Savory 32.3%
    Meaty 32.06%
    Grapefruit 31.71%
    Odorless 31.31%
    Roasted 25.92%
    Woody 23.9%
    Sulfurous 23.59%
    Herbal 22.02%

     

    Flavor
    Bitter 32.69%
    Odorless 27.77%
    Bland 26.12%
    Nitrile 19.3%
    Mild 19.21%
    Oriental 18.69%
    Bloody 18.53%
    Scallion 18.47%
    Cedarleaf 18.42%
    Roasted 18.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.11 (neutral)

    Molecular weight
    304.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 34 °C
    • MP: 29-30 °C
    • 29-30 °C

    Boiling point

    • BP: 117 °C at 0.3 mm Hg
    • at 0.04kPa: 117 °C

    Flash point

    • 104.22 ˚C est.
    • 90 °C c.c.

    Solubility expt.

    • In water, 4 mg/L at 25 °C
    • In water, 4 ppm
    • Readily soluble in common organic solvents such as acetone, diethyl ether, ethyl acetate, ethanol, benzene and heptane
    • Soluble in heptane, ethyl alc, acetone, ether, benzene, ethyl acetate
    • Solubility in water, g/100ml at 25 °C: 0.0002

  • Synonyms

    • triallate
    • Tri-allate
    • 2303-17-5
    • Avadex BW
    • Far-Go
    • Triallat
    • Dipthal
    • Triamyl
    • Caswell No. 870A
    • Diisopropyltrichloroallylthiocarbamate
    • Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester
    • DTXSID5024344
    • CP 23426
    • 2,3,3-Trichloroallyl diisopropylthiocarbamate
    • EPA Pesticide Chemical Code 078802
    • 2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
    • S-(2,3,3-Trichloro-2-propenyl) bis(1-methylethyl)carbamothioate
    • S-2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
    • A9S097HS99
    • 2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate
    • Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester
    • 2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate
    • Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester
    • S-2,3,3-Trichloroallyl diisopropylthiocarbamate
    • S-(2,3,3-Trichloroallyl)diisopropylthiocarbamate
    • NSC-379698
    • N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester
    • S-(2,3,3-Trichloroallyl) diisopropylthiocarbamate
    • Thiocarbamic acid, N-diisopropyl-, S-2,3,3-trichloroallyl ester
    • 2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat
    • S-2,3,3-Trichloroallyl-N,N-diisopropylthiolcarbamate
    • CP-23426
    • DTXCID804344
    • N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat
    • FarGo
    • Tri allate
    • Far Go
    • RefChem:190819
    • N,N-bis(propan-2-yl)((2,3,3-trichloroprop-2-en-1-yl)sulfanyl)formamide
    • 218-962-7
    • NSC 379698
    • S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
    • Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester
    • Tri-allate 10 microg/mL in Cyclohexane
    • Tri-allate 100 microg/mL in Acetonitrile
    • Triallat [German]
    • Tri-allate [BSI:ISO]
    • CAS-2303-17-5
    • Tri-allate [ISO]
    • CCRIS 5383
    • HSDB 1780
    • S-(2,3,3-Trichloroallyl) N,N-diisopropylthiocarbamate
    • EINECS 218-962-7
    • RCRA waste no. U389
    • BRN 1875853
    • Showdown
    • UNII-A9S097HS99
    • Avadex BE
    • Far-Go/Avadex BW
    • Spectrum_001889
    • 2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat [German]
    • N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat [German]
    • SpecPlus_000510
    • TRIALLATE [MI]
    • S-(2,3,3-Trichloro-2-propenyl) bis(1-methylethyl)carbamothiote
    • Spectrum2_001844
    • Spectrum3_000845
    • Spectrum4_000685
    • Spectrum5_002006
    • TRI-ALLATE [HSDB]
    • Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester
    • Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester
    • SCHEMBL62793
    • BSPBio_002429
    • KBioGR_001149
    • KBioSS_002419
    • Triallat, analytical standard
    • DivK1c_006606
    • SPBio_001628
    • orb1705352
    • CHEMBL1884767
    • CHEBI:81978
    • KBio1_001550
    • KBio2_002413
    • KBio2_004981
    • KBio2_007549
    • KBio3_001929
    • MSK22437
    • Tox21_201817
    • Tox21_300671
    • CCG-39382
    • NSC379698
    • AKOS016011225
    • bis(1-methylethyl)carbamothioic acid s-(2,3,3-trichloro-2-propenyl) ester
    • NCGC00168339-01
    • NCGC00168339-02
    • NCGC00168339-03
    • NCGC00168339-04
    • NCGC00254579-01
    • NCGC00259366-01
    • DA-78600
    • HY-119435
    • CS-0068360
    • NS00000710
    • Triallat, PESTANAL(R), analytical standard
    • C18813
    • Q904371
    • N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamate
    • BRD-K64698045-001-02-2
    • S-(2,3,3-Trichloro-2-propenyl) diisopropylthiocarbamate #
    • S-(2,3,3-trichloro-2-propenyl)bis(1-methylethyl)thiocarbamate
    • S-(2,3,3-Trichloroprop-2-en-1-yl) di(propan-2-yl)carbamothioate
    • 2303-17-5

  • Applications

    Triallate is a soil-applied pre-emergence herbicide used to control annual grasses and some broadleaf weeds in agricultural crops. It is commonly employed in crop systems such as cereals, maize (corn), sugarcane, potatoes, sorghum, and forage/pasture crops to suppress weed germination and early growth.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 140.68
    methanol 148.15
    isopropanol 107.56
    water 2.66
    ethyl acetate 513.39
    n-propanol 141.78
    acetone 850.95
    n-butanol 127.0
    acetonitrile 402.03
    DMF 1829.11
    toluene 343.19
    isobutanol 117.1
    1,4-dioxane 534.81
    methyl acetate 567.7
    THF 1085.34
    2-butanone 596.49
    n-pentanol 106.47
    sec-butanol 127.41
    n-hexane 21.67
    ethylene glycol 65.67
    NMP 2535.65
    cyclohexane 32.32
    DMSO 1192.91
    n-butyl acetate 324.3
    n-octanol 44.03
    chloroform 2039.33
    n-propyl acetate 304.26
    acetic acid 675.1
    dichloromethane 1808.79
    cyclohexanone 1007.83
    propylene glycol 85.6
    isopropyl acetate 320.54
    DMAc 1644.99
    2-ethoxyethanol 239.58
    isopentanol 115.66
    n-heptane 14.05
    ethyl formate 373.73
    1,2-dichloroethane 1037.82
    n-hexanol 105.06
    2-methoxyethanol 385.17
    isobutyl acetate 178.24
    tetrachloromethane 340.91
    n-pentyl acetate 229.79
    transcutol 451.72
    n-heptanol 56.63
    ethylbenzene 130.72
    MIBK 270.19
    2-propoxyethanol 278.8
    tert-butanol 142.14
    MTBE 248.15
    2-butoxyethanol 153.25
    propionic acid 344.0
    o-xylene 212.57
    formic acid 287.65
    diethyl ether 266.47
    m-xylene 207.03
    p-xylene 187.05
    chlorobenzene 635.9
    dimethyl carbonate 371.19
    n-octane 5.5
    formamide 462.37
    cyclopentanone 1501.2
    2-pentanone 493.12
    anisole 324.2
    cyclopentyl methyl ether 610.09
    gamma-butyrolactone 1742.24
    1-methoxy-2-propanol 287.52
    pyridine 817.5
    3-pentanone 480.57
    furfural 1711.75
    n-dodecane 3.74
    diethylene glycol 219.11
    diisopropyl ether 87.68
    tert-amyl alcohol 154.23
    acetylacetone 835.14
    n-hexadecane 4.53
    acetophenone 454.78
    methyl propionate 517.4
    isopentyl acetate 273.96
    trichloroethylene 2994.32
    n-nonanol 45.13
    cyclohexanol 207.77
    benzyl alcohol 255.31
    2-ethylhexanol 85.57
    isooctanol 49.19
    dipropyl ether 133.45
    1,2-dichlorobenzene 659.94
    ethyl lactate 161.85
    propylene carbonate 919.1
    n-methylformamide 668.7
    2-pentanol 102.31
    n-pentane 23.37
    1-propoxy-2-propanol 206.01
    1-methoxy-2-propyl acetate 417.76
    2-(2-methoxypropoxy) propanol 177.24
    mesitylene 110.97
    ε-caprolactone 860.14
    p-cymene 92.4
    epichlorohydrin 1557.28
    1,1,1-trichloroethane 1241.46
    2-aminoethanol 113.8
    morpholine-4-carbaldehyde 1355.75
    sulfolane 2326.63
    2,2,4-trimethylpentane 18.03
    2-methyltetrahydrofuran 792.58
    n-hexyl acetate 230.1
    isooctane 10.23
    2-(2-butoxyethoxy)ethanol 185.89
    sec-butyl acetate 207.91
    tert-butyl acetate 351.55
    decalin 22.95
    glycerin 157.54
    diglyme 457.7
    acrylic acid 474.43
    isopropyl myristate 77.83
    n-butyric acid 360.66
    acetyl acetate 506.52
    di(2-ethylhexyl) phthalate 117.05
    ethyl propionate 298.02
    nitromethane 1852.98
    1,2-diethoxyethane 222.38
    benzonitrile 447.71
    trioctyl phosphate 70.43
    1-bromopropane 414.3
    gamma-valerolactone 1712.52
    n-decanol 32.6
    triethyl phosphate 169.88
    4-methyl-2-pentanol 65.9
    propionitrile 255.14
    vinylene carbonate 891.73
    1,1,2-trichlorotrifluoroethane 1180.47
    DMS 411.35
    cumene 81.27
    2-octanol 41.91
    2-hexanone 277.21
    octyl acetate 108.5
    limonene 138.75
    1,2-dimethoxyethane 471.4
    ethyl orthosilicate 147.57
    tributyl phosphate 104.0
    diacetone alcohol 315.77
    N,N-dimethylaniline 250.63
    acrylonitrile 454.52
    aniline 363.77
    1,3-propanediol 145.51
    bromobenzene 668.77
    dibromomethane 986.11
    1,1,2,2-tetrachloroethane 1924.41
    2-methyl-cyclohexyl acetate 230.14
    tetrabutyl urea 149.77
    diisobutyl methanol 53.3
    2-phenylethanol 225.01
    styrene 184.13
    dioctyl adipate 157.55
    dimethyl sulfate 880.74
    ethyl butyrate 250.26
    methyl lactate 263.81
    butyl lactate 180.33
    diethyl carbonate 197.07
    propanediol butyl ether 126.58
    triethyl orthoformate 184.21
    p-tert-butyltoluene 91.22
    methyl 4-tert-butylbenzoate 288.15
    morpholine 637.08
    tert-butylamine 91.82
    n-dodecanol 24.59
    dimethoxymethane 607.08
    ethylene carbonate 616.12
    cyrene 381.7
    2-ethoxyethyl acetate 371.2
    2-ethylhexyl acetate 244.63
    1,2,4-trichlorobenzene 844.44
    4-methylpyridine 955.41
    dibutyl ether 76.93
    2,6-dimethyl-4-heptanol 53.3
    DEF 756.06
    dimethyl isosorbide 494.25
    tetrachloroethylene 1175.24
    eugenol 260.35
    triacetin 353.54
    span 80 167.25
    1,4-butanediol 78.14
    1,1-dichloroethane 899.75
    2-methyl-1-pentanol 111.42
    methyl formate 660.66
    2-methyl-1-butanol 132.46
    n-decane 6.52
    butyronitrile 233.2
    3,7-dimethyl-1-octanol 54.15
    1-chlorooctane 47.13
    1-chlorotetradecane 18.83
    n-nonane 6.06
    undecane 4.76
    tert-butylcyclohexane 19.4
    cyclooctane 12.12
    cyclopentanol 288.42
    tetrahydropyran 484.8
    tert-amyl methyl ether 253.41
    2,5,8-trioxanonane 298.76
    1-hexene 87.13
    2-isopropoxyethanol 168.93
    2,2,2-trifluoroethanol 508.8
    methyl butyrate 372.98

    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