Tolclofos-methyl

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  • Identifiers

    CAS number
    57018-04-9

    Molecular formula
    C9H11Cl2O3PS

    SMILES
    CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 46.12%
    Savory 21.58%
    Meaty 21.57%
    Sulfurous 20.12%
    Fresh 19.98%
    Roasted 19.45%
    Phenolic 19.05%
    Animal 18.37%
    Dry 18.12%
    Cooked 17.92%

     

    Flavor
    Bitter 51.84%
    Odorless 33.11%
    Mild 28.56%
    Bland 25.0%
    Fruity 23.01%
    Orange flower 20.27%
    Scallion 19.89%
    Sweet-like 19.87%
    Taco 19.77%
    Parsley 19.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    6.1 (neutral)

    Molecular weight
    301.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Melting point expt.

    • 79-79.5 °C
    • MP: 75-80 °C

    Flash point

    • 134.64 ˚C est.
    • >100 °C (>212 °F)

    Solubility expt.

    • In water, 1.10 mg/L at 15 °C
    • In water, 0.3-0.4 ppm at 23 °C
    • In hexane 3.8%, exylene 36.0%, methanol 5.9%
    • Soluble in common solvents such as acetone, xylene
    • Easily soluble in xylene, acetone, cyclohexanone, chlorform

  • Synonyms

    • Tolclofos-methyl
    • 57018-04-9
    • Rizolex
    • Risolex
    • Toclofos-methyl
    • o-(2,6-Dichloro-4-methylphenyl) o,o-dimethyl phosphorothioate
    • S-3349
    • O-2,6-Dichloro-p-tolyl O,O-dimethyl phosphorothioate
    • G42OQL6F5B
    • DTXSID0034776
    • Phosphorothioic acid, O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl ester
    • O-(2,6-Dichloro-p-tolyl) O,O-dimethyl thiophosphate
    • DTXCID8014776
    • CHEBI:81731
    • O,O-Dimethyl O-(2,6-dichloro-4-methylphenyl)phosphorothioate
    • O-(2,6-Dichloro-p-tolyl) O,O-dimethyl ester of phosphorothioic acid
    • Phosphorothioic acid, O-(2,6-dichloro-p-tolyl) O,O-dimethyl ester
    • O-(2,6-dichloro-4-methylphenyl)phosphorothioic acid O,O-dimethyl ester
    • RefChem:898545
    • (O,O-dimethyl O-(2,6-dichloro-4-methylphenyl)phosphorothioate)
    • 260-515-3
    • Basilex
    • Phosphorothioic acid, O-(2,6-dichloro-4-methylphenyl) O,O-dimethylester
    • Tolclofos-methyl 10 microg/mL in Cyclohexane
    • Grancer
    • C9H11Cl2O3PS
    • Tolclofos-methyl [BSI:ISO]
    • Tolclofos-methyl [ISO]
    • EINECS 260-515-3
    • UNII-G42OQL6F5B
    • BRN 2136521
    • tolclofos-Me
    • Tolclophos-methyl
    • MFCD00078741
    • TOLCOFOS-METHYL
    • Tolclofos-methyl (Standard)
    • SCHEMBL30367
    • BIDD:ER0164
    • TOLCLOFOS-METHYL [MI]
    • orb1301438
    • CHEMBL2141416
    • HSDB 8440
    • HY-B2053R
    • HY-B2053
    • MSK21003
    • Tox21_301347
    • (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
    • AKOS015961111
    • Phosphorothioic acid,O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl ester
    • CS-5201
    • NCGC00164279-01
    • NCGC00255519-01
    • AC-12691
    • CAS-57018-04-9
    • DB-053000
    • NS00000190
    • A12653
    • C18407
    • 018T049
    • Q1651656
    • Tolclofos-methyl, PESTANAL(R), analytical standard
    • Dimethyl O-(2,6-dichloro-4-methylphenyl) phosphorothioate
    • O,O-Dimethyl O-(2,6-dichloro-4-methylphenyl) phosphorothioate
    • O-(2,6-Dichloro-4-methylphenyl) O,O-dimethyl thiophosphate #
    • (2,6-dichloro-4-methyl-phenoxy)-dimethoxy-thioxo-lambda5-phosphane
    • (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-|E5-phosphane
    • 57018-04-9

  • Applications

    Tolclofos-methyl is used primarily as an active ingredient in agricultural pesticide formulations to protect crops from pests. It is commonly evaluated for seed treatment and foliar spray programs in crop production, and may be incorporated into professional pest-control products for turf, ornamentals, and storage facilities. The chemical can also function as an intermediate or component in the formulation of other pesticide products, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 175.61
    methanol 196.84
    isopropanol 122.79
    water 1.82
    ethyl acetate 114.76
    n-propanol 144.89
    acetone 202.41
    n-butanol 164.31
    acetonitrile 135.51
    DMF 472.19
    toluene 60.99
    isobutanol 95.1
    1,4-dioxane 287.76
    methyl acetate 147.45
    THF 572.17
    2-butanone 175.81
    n-pentanol 132.79
    sec-butanol 132.49
    n-hexane 5.1
    ethylene glycol 56.46
    NMP 376.71
    cyclohexane 17.25
    DMSO 293.47
    n-butyl acetate 125.16
    n-octanol 78.38
    chloroform 401.0
    n-propyl acetate 113.89
    acetic acid 216.73
    dichloromethane 314.77
    cyclohexanone 233.99
    propylene glycol 63.55
    isopropyl acetate 78.12
    DMAc 373.94
    2-ethoxyethanol 264.89
    isopentanol 126.31
    n-heptane 14.68
    ethyl formate 157.24
    1,2-dichloroethane 156.77
    n-hexanol 121.66
    2-methoxyethanol 375.08
    isobutyl acetate 78.06
    tetrachloromethane 43.75
    n-pentyl acetate 113.02
    transcutol 332.52
    n-heptanol 89.92
    ethylbenzene 39.47
    MIBK 91.67
    2-propoxyethanol 227.43
    tert-butanol 133.49
    MTBE 124.93
    2-butoxyethanol 172.2
    propionic acid 83.95
    o-xylene 45.85
    formic acid 151.63
    diethyl ether 125.51
    m-xylene 40.52
    p-xylene 48.14
    chlorobenzene 93.32
    dimethyl carbonate 88.71
    n-octane 8.12
    formamide 228.35
    cyclopentanone 293.63
    2-pentanone 147.45
    anisole 134.86
    cyclopentyl methyl ether 174.8
    gamma-butyrolactone 283.95
    1-methoxy-2-propanol 230.12
    pyridine 226.82
    3-pentanone 103.94
    furfural 356.06
    n-dodecane 7.23
    diethylene glycol 180.33
    diisopropyl ether 36.31
    tert-amyl alcohol 133.37
    acetylacetone 145.74
    n-hexadecane 8.02
    acetophenone 131.78
    methyl propionate 110.7
    isopentyl acetate 108.0
    trichloroethylene 362.79
    n-nonanol 74.18
    cyclohexanol 145.26
    benzyl alcohol 136.48
    2-ethylhexanol 81.52
    isooctanol 74.72
    dipropyl ether 85.59
    1,2-dichlorobenzene 97.57
    ethyl lactate 72.58
    propylene carbonate 171.18
    n-methylformamide 221.15
    2-pentanol 103.16
    n-pentane 10.56
    1-propoxy-2-propanol 157.45
    1-methoxy-2-propyl acetate 128.94
    2-(2-methoxypropoxy) propanol 122.64
    mesitylene 25.61
    ε-caprolactone 209.58
    p-cymene 45.21
    epichlorohydrin 384.07
    1,1,1-trichloroethane 140.22
    2-aminoethanol 99.54
    morpholine-4-carbaldehyde 409.85
    sulfolane 267.66
    2,2,4-trimethylpentane 8.44
    2-methyltetrahydrofuran 300.81
    n-hexyl acetate 105.16
    isooctane 5.62
    2-(2-butoxyethoxy)ethanol 179.81
    sec-butyl acetate 74.59
    tert-butyl acetate 93.61
    decalin 8.92
    glycerin 103.4
    diglyme 338.84
    acrylic acid 91.84
    isopropyl myristate 48.89
    n-butyric acid 141.86
    acetyl acetate 84.96
    di(2-ethylhexyl) phthalate 59.78
    ethyl propionate 83.62
    nitromethane 343.68
    1,2-diethoxyethane 152.23
    benzonitrile 145.28
    trioctyl phosphate 47.39
    1-bromopropane 91.31
    gamma-valerolactone 429.44
    n-decanol 56.66
    triethyl phosphate 57.26
    4-methyl-2-pentanol 63.74
    propionitrile 110.31
    vinylene carbonate 178.75
    1,1,2-trichlorotrifluoroethane 289.62
    DMS 77.02
    cumene 30.21
    2-octanol 67.15
    2-hexanone 124.3
    octyl acetate 69.61
    limonene 65.43
    1,2-dimethoxyethane 384.94
    ethyl orthosilicate 62.36
    tributyl phosphate 49.15
    diacetone alcohol 125.18
    N,N-dimethylaniline 110.72
    acrylonitrile 131.25
    aniline 114.82
    1,3-propanediol 169.98
    bromobenzene 86.13
    dibromomethane 183.15
    1,1,2,2-tetrachloroethane 273.39
    2-methyl-cyclohexyl acetate 99.19
    tetrabutyl urea 73.25
    diisobutyl methanol 49.41
    2-phenylethanol 137.67
    styrene 49.97
    dioctyl adipate 74.53
    dimethyl sulfate 112.25
    ethyl butyrate 101.21
    methyl lactate 82.78
    butyl lactate 93.22
    diethyl carbonate 74.56
    propanediol butyl ether 135.71
    triethyl orthoformate 86.92
    p-tert-butyltoluene 45.69
    methyl 4-tert-butylbenzoate 111.42
    morpholine 374.39
    tert-butylamine 79.16
    n-dodecanol 43.46
    dimethoxymethane 287.85
    ethylene carbonate 137.65
    cyrene 179.06
    2-ethoxyethyl acetate 149.57
    2-ethylhexyl acetate 91.2
    1,2,4-trichlorobenzene 118.61
    4-methylpyridine 226.81
    dibutyl ether 70.35
    2,6-dimethyl-4-heptanol 49.41
    DEF 200.65
    dimethyl isosorbide 211.7
    tetrachloroethylene 156.03
    eugenol 133.65
    triacetin 103.03
    span 80 110.29
    1,4-butanediol 87.02
    1,1-dichloroethane 147.46
    2-methyl-1-pentanol 113.07
    methyl formate 205.65
    2-methyl-1-butanol 120.9
    n-decane 11.56
    butyronitrile 139.99
    3,7-dimethyl-1-octanol 69.37
    1-chlorooctane 43.37
    1-chlorotetradecane 19.24
    n-nonane 10.11
    undecane 8.82
    tert-butylcyclohexane 8.43
    cyclooctane 6.59
    cyclopentanol 161.81
    tetrahydropyran 236.44
    tert-amyl methyl ether 111.68
    2,5,8-trioxanonane 229.27
    1-hexene 26.82
    2-isopropoxyethanol 165.17
    2,2,2-trifluoroethanol 101.87
    methyl butyrate 126.35

    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