Chlorotoluron

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  • Identifiers

    CAS number
    15545-48-9

    Molecular formula
    C10H13ClN2O

    SMILES
    CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 41.79%
    Grape 32.09%
    Savory 30.02%
    Cheesy 27.83%
    Cooling 27.8%
    Meaty 26.96%
    Animal 26.64%
    Citrus 26.56%
    Grapefruit 23.72%
    Ripe 22.53%

     

    Flavor
    Bitter 39.68%
    Odorless 39.2%
    Mild 28.39%
    Fruity 25.87%
    Bland 22.2%
    Roasted 20.65%
    Orange flower 20.36%
    Taco 19.43%
    Nitrile 19.4%
    Sweet-like 19.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.6 (neutral)

    Molecular weight
    212.67 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    385°C

    Melting point expt.

    • 147-148 °C
    • 148.1 °C

    Flash point

    • 148.94 ˚C est.

    Solubility expt.

    • IT IS SOLUBLE IN MOST ORGANIC SOLVENTS
    • In acetone 5%, ethyl acetate 2%, benzene 2.4%, isopropanol 1.5%, methylene chloride 4.3% w/v
    • In water, 70 mg/L at 25 °C
    • In acetone 54, dichloromethane 51, ethanol 48, toluene 3.0, hexane 0.06, n-octanol 24, ethyl acetate 21 (all in g/L at 25 °C)
    • Solubility in water, g/100ml at 25 °C: 0.0074 (very poor)

  • Synonyms

    • Chlorotoluron
    • 15545-48-9
    • CHLORTOLURON
    • 3-(3-Chloro-4-methylphenyl)-1,1-dimethylurea
    • Dicuran
    • Tolurex
    • Clortokem
    • Highuron
    • Dikurin
    • 3-(3-Chloro-p-tolyl)-1,1-dimethylurea
    • Chlortoluron [BSI]
    • Urea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl-
    • Caswell No. 216D
    • Chlorotoluron [BSI:ISO]
    • Dicuran 500FL
    • N'-(3-Chloro-4-methylphenyl)-N,N-dimethylurea
    • Chlorotoluron [ISO]
    • HSDB 2760
    • N-(3-Chloro-4-methylphenyl)-N',N'-dimethylurea
    • UNII-SUW8L8G38A
    • EINECS 239-592-2
    • CGA 15646
    • 1-(3-chloro-4-methylphenyl)-3,3-dimethylurea
    • EPA Pesticide Chemical Code 216500
    • N,N-Dimethyl-N'-(3-chloro-4-methylphenyl)urea
    • BRN 2647688
    • CCRIS 8727
    • 3-(3-Chlor-4-methylphenyl)-1,1-dimethylharnstoff
    • CHEBI:81981
    • Urea, 3-(3-chloro-p-tolyl)-1,1-dimethyl-
    • C 2242
    • CHLOROTOLURON [MI]
    • CHLOROTOLURON [HSDB]
    • SUW8L8G38A
    • 3-(3-Chlor-4-methylphenyl)-1,1-dimethylharnstoff [German]
    • DTXSID8052853
    • 4-12-00-01986 (Beilstein Handbook Reference)
    • Chlorotoluron 10 microg/mL in Acetonitrile
    • Chlorotoluron 100 microg/mL in Acetonitrile
    • Chlorotoluron D6
    • 3-(3-Chloro-4-methylphenyl)-1,1-dimethyl-urea
    • Chlortoluron solution
    • MFCD00018275
    • Maybridge1_005487
    • SCHEMBL64782
    • DivK1c_001775
    • CHEMBL1900581
    • DTXCID5031264
    • HMS557B09
    • HY-B2023
    • CCG-56521
    • AKOS001223569
    • FC20400
    • KS-5366
    • CDS1_000735
    • NCGC00166132-01
    • DB-043270
    • CS-0014122
    • NS00000251
    • C18817
    • E78636
    • Chlortoluron, PESTANAL(R), analytical standard
    • EN300-7359283
    • N'-(3-Chloro-4-methylphenyl)-N,N-dimethylurea #
    • Q411273
    • SR-01000645471-1
    • Z56324724
    • Chlorotoluron; 1,1-Dimethyl-3-(3-chloro-4-methylbenzene)urea; Lentipur(R)
    • 239-592-2

  • Applications

    Chlorotoluron (CAS 15545-48-9) is a selective phenylurea herbicide used in crop protection to control annual grasses and broadleaf weeds in cereals and forage crops. It inhibits photosystem II in susceptible plants. It is typically applied pre-emergence or early post-emergence and is formulated as emulsifiable concentrates, wettable powders, or granules; it can be used in tank mixtures with other herbicides and as part of rotation programs to broaden weed control. Its use is governed by label directions and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.67
    methanol 97.56
    isopropanol 79.28
    water 0.85
    ethyl acetate 75.28
    n-propanol 71.54
    acetone 196.22
    n-butanol 57.76
    acetonitrile 66.47
    DMF 719.42
    toluene 25.21
    isobutanol 52.3
    1,4-dioxane 117.66
    methyl acetate 111.87
    THF 224.94
    2-butanone 182.82
    n-pentanol 49.62
    sec-butanol 71.73
    n-hexane 0.88
    ethylene glycol 28.08
    NMP 378.38
    cyclohexane 0.87
    DMSO 397.16
    n-butyl acetate 55.48
    n-octanol 12.93
    chloroform 308.17
    n-propyl acetate 54.53
    acetic acid 154.52
    dichloromethane 245.15
    cyclohexanone 136.23
    propylene glycol 54.48
    isopropyl acetate 47.84
    DMAc 683.92
    2-ethoxyethanol 125.91
    isopentanol 54.79
    n-heptane 0.63
    ethyl formate 81.11
    1,2-dichloroethane 127.79
    n-hexanol 36.67
    2-methoxyethanol 172.4
    isobutyl acetate 34.36
    tetrachloromethane 25.96
    n-pentyl acetate 35.63
    transcutol 206.08
    n-heptanol 22.85
    ethylbenzene 17.75
    MIBK 55.61
    2-propoxyethanol 101.1
    tert-butanol 96.61
    MTBE 72.77
    2-butoxyethanol 68.5
    propionic acid 85.72
    o-xylene 23.48
    formic acid 101.96
    diethyl ether 41.68
    m-xylene 19.91
    p-xylene 28.3
    chlorobenzene 58.08
    dimethyl carbonate 71.68
    n-octane 0.33
    formamide 187.15
    cyclopentanone 228.21
    2-pentanone 93.2
    anisole 80.34
    cyclopentyl methyl ether 62.57
    gamma-butyrolactone 239.2
    1-methoxy-2-propanol 130.34
    pyridine 138.48
    3-pentanone 76.66
    furfural 261.61
    n-dodecane 0.34
    diethylene glycol 92.41
    diisopropyl ether 9.8
    tert-amyl alcohol 90.48
    acetylacetone 117.47
    n-hexadecane 0.4
    acetophenone 94.01
    methyl propionate 88.82
    isopentyl acetate 55.09
    trichloroethylene 385.69
    n-nonanol 12.64
    cyclohexanol 39.46
    benzyl alcohol 86.39
    2-ethylhexanol 21.08
    isooctanol 19.89
    dipropyl ether 15.11
    1,2-dichlorobenzene 67.05
    ethyl lactate 47.0
    propylene carbonate 138.7
    n-methylformamide 209.26
    2-pentanol 35.79
    n-pentane 0.76
    1-propoxy-2-propanol 63.75
    1-methoxy-2-propyl acetate 77.23
    2-(2-methoxypropoxy) propanol 69.46
    mesitylene 11.03
    ε-caprolactone 116.69
    p-cymene 12.17
    epichlorohydrin 271.96
    1,1,1-trichloroethane 122.59
    2-aminoethanol 65.35
    morpholine-4-carbaldehyde 297.02
    sulfolane 292.06
    2,2,4-trimethylpentane 1.68
    2-methyltetrahydrofuran 131.25
    n-hexyl acetate 39.3
    isooctane 0.97
    2-(2-butoxyethoxy)ethanol 82.09
    sec-butyl acetate 38.21
    tert-butyl acetate 58.26
    decalin 1.55
    glycerin 83.79
    diglyme 156.44
    acrylic acid 102.36
    isopropyl myristate 14.57
    n-butyric acid 91.69
    acetyl acetate 59.57
    di(2-ethylhexyl) phthalate 29.26
    ethyl propionate 47.33
    nitromethane 299.73
    1,2-diethoxyethane 48.85
    benzonitrile 70.68
    trioctyl phosphate 16.62
    1-bromopropane 42.06
    gamma-valerolactone 279.81
    n-decanol 8.88
    triethyl phosphate 32.08
    4-methyl-2-pentanol 24.76
    propionitrile 53.47
    vinylene carbonate 127.38
    1,1,2-trichlorotrifluoroethane 291.66
    DMS 58.14
    cumene 14.47
    2-octanol 13.31
    2-hexanone 68.61
    octyl acetate 21.35
    limonene 14.58
    1,2-dimethoxyethane 176.55
    ethyl orthosilicate 28.01
    tributyl phosphate 21.36
    diacetone alcohol 95.79
    N,N-dimethylaniline 62.24
    acrylonitrile 88.62
    aniline 69.8
    1,3-propanediol 79.91
    bromobenzene 47.84
    dibromomethane 116.92
    1,1,2,2-tetrachloroethane 295.8
    2-methyl-cyclohexyl acetate 43.12
    tetrabutyl urea 29.21
    diisobutyl methanol 12.53
    2-phenylethanol 64.82
    styrene 23.21
    dioctyl adipate 30.35
    dimethyl sulfate 149.25
    ethyl butyrate 40.58
    methyl lactate 75.69
    butyl lactate 42.83
    diethyl carbonate 36.24
    propanediol butyl ether 70.37
    triethyl orthoformate 32.95
    p-tert-butyltoluene 12.14
    methyl 4-tert-butylbenzoate 65.2
    morpholine 166.45
    tert-butylamine 40.78
    n-dodecanol 6.13
    dimethoxymethane 170.39
    ethylene carbonate 90.44
    cyrene 106.8
    2-ethoxyethyl acetate 65.61
    2-ethylhexyl acetate 40.12
    1,2,4-trichlorobenzene 90.73
    4-methylpyridine 157.13
    dibutyl ether 10.86
    2,6-dimethyl-4-heptanol 12.53
    DEF 135.58
    dimethyl isosorbide 119.32
    tetrachloroethylene 162.99
    eugenol 74.08
    triacetin 55.61
    span 80 52.61
    1,4-butanediol 44.66
    1,1-dichloroethane 132.91
    2-methyl-1-pentanol 50.65
    methyl formate 149.02
    2-methyl-1-butanol 54.47
    n-decane 0.54
    butyronitrile 53.9
    3,7-dimethyl-1-octanol 16.24
    1-chlorooctane 5.4
    1-chlorotetradecane 1.99
    n-nonane 0.45
    undecane 0.41
    tert-butylcyclohexane 1.92
    cyclooctane 0.31
    cyclopentanol 59.01
    tetrahydropyran 70.83
    tert-amyl methyl ether 56.32
    2,5,8-trioxanonane 102.06
    1-hexene 8.04
    2-isopropoxyethanol 82.03
    2,2,2-trifluoroethanol 94.49
    methyl butyrate 71.77

    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