Isoproturon

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  • Identifiers

    CAS number
    34123-59-6

    Molecular formula
    C12H18N2O

    SMILES
    CC(C)C1=CC=C(C=C1)NC(=O)N(C)C

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Cooling 43.51%
    Mint 38.84%
    Odorless 32.45%
    Grapefruit 31.15%
    Citrus 29.0%
    Animal 27.58%
    Savory 26.85%
    Cheesy 25.79%
    Fresh 23.74%
    Grape 23.06%

     

    Flavor
    Fruity 28.49%
    Herbal 27.93%
    Mild 23.37%
    Green 21.89%
    Green pepper 19.96%
    Syrup 19.94%
    Odorless 19.81%
    Tomato leaf 19.47%
    Carrot 19.3%
    Creosote 19.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.57 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    371°C

    Melting point expt.

    • 158 °C
    • MP: 153-165 °C /Technical isoproturon/

    Flash point

    • 145.57 ˚C est.
    • 100 °C (212 °F) - closed cup

    Solubility expt.

    • In water, 65 mg/L at 22 °C
    • In water, 70 mg/L at 20 °C
    • In methanol 75, dichloromethane 63, acetone 38, benzene 5, xylol 4, n-hexane approximately 0.2 (all in g/L at 20 °C)

  • Synonyms

    • ISOPROTURON
    • 34123-59-6
    • Graminon
    • Tolkan
    • 3-(4-Isopropylphenyl)-1,1-dimethylurea
    • Arelon
    • Belgran
    • Arelon R
    • Nocilon
    • IPU Stefes
    • IP-Flo
    • Hytane 500L
    • Zodiac TX
    • DPX 6774
    • 3-p-Cumenyl-1,1-dimethylurea
    • CGA-18731
    • HOE 16410
    • N-4-Isopropylphenyl-N,N-dimethylurea
    • IP 50
    • CL 12150
    • Urea, 3-p-cumenyl-1,1-dimethyl-
    • DTXSID1042077
    • N,N-Dimethyl-N'-(4-(1-methylethyl)phenyl)urea
    • N-(4-Isopropylphenyl)-N',N'-dimethylharnstoff
    • 3-(4-isopropylphenyl)-1,1-dimethyl-urea
    • CHEBI:6049
    • N-(Isopropyl-4-phenyl)-N',N'-dimethyluree
    • 35689 R.P.
    • 66066K098P
    • DTXCID9022077
    • N,N-Dimethyl-N'-[4-(1-methylethyl)phenyl]urea
    • 1,1-dimethyl-3-[4-(propan-2-yl)phenyl]urea
    • 1,1-dimethyl-3-(4-(propan-2-yl)phenyl)urea
    • RefChem:149872
    • N'-(4-(1-methylethyl)phenyl)-N,N-dimethylurea
    • 251-835-4
    • 3,3-dimethyl-1-[4-(propan-2-yl)phenyl]urea
    • Urea, N,N-dimethyl-N'-[4-(1-methylethyl)phenyl]-
    • 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea
    • Urea, 1,1-dimethyl-3-(p-isopropylphenyl)-
    • MFCD00078684
    • Isoproturon 10 microg/mL in Acetonitrile
    • Isoproturon 100 microg/mL in Acetonitrile
    • Protugan
    • Isoproturon [BSI:ISO]
    • Isoproturon [ISO]
    • Urea, N,N-dimethyl-N'-(4-(1-methylethyl)phenyl)-
    • EINECS 251-835-4
    • BRN 2214033
    • Tolken
    • UNII-66066K098P
    • N-(Isopropyl-4-phenyl)-N',N'-dimethyluree [French]
    • N-(4-Isopropylphenyl)-N',N'-dimethylharnstoff [German]
    • ISOPROTURON [MI]
    • SCHEMBL62200
    • IP50
    • CHEMBL2251591
    • HSDB 6689
    • HY-B1859
    • MSK22322
    • Tox21_301329
    • 4-isopropylphenyl-N',N'-dimethylurea
    • AKOS002959799
    • EBC-610682
    • GS-3581
    • NCGC00255738-01
    • 1,1-dimethyl-3-(p-isopropylphenyl)-urea
    • N'-(4-Isopropylphenyl)-N,N-dimethylurea
    • CAS-34123-59-6
    • DB-048570
    • N-(4-Isopropylphenyl)-N',N'-dimethylurea
    • CS-0013926
    • I0843
    • NS00000260
    • H10431
    • Isoproturon, PESTANAL(R), analytical standard
    • N,N-Dimethyl-N'-[4-(propan-2-yl)phenyl]urea
    • Q2184565
    • N,N-Dimethyl-N'-[4-(1-methylethyl)phenyl]Urea labeled with deuterium
    • 34123-59-6

  • Applications

    Isoproturon (CAS 34123-59-6) is a selective systemic herbicide used in agriculture to control annual grasses and certain broadleaf weeds in cereal crops such as wheat and barley. It is typically applied pre-emergence or early post-emergence to protect yields. In the crop-protection industry it serves as the active ingredient in commercial herbicide formulations, marketed in products such as emulsifiable concentrates and water-dispersible granules, and is purchased by formulators for inclusion in final products. It is also evaluated within environmental risk assessments and regulatory programs, including studies of soil and water fate and leaching. Usage is subject to local regulations and label directions, underscoring the need for proper handling and adherence to formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 389.9
    methanol 449.8
    isopropanol 310.78
    water 1.46
    ethyl acetate 265.42
    n-propanol 277.66
    acetone 330.93
    n-butanol 239.59
    acetonitrile 215.49
    DMF 840.64
    toluene 72.02
    isobutanol 207.17
    1,4-dioxane 367.8
    methyl acetate 269.73
    THF 412.03
    2-butanone 300.21
    n-pentanol 177.68
    sec-butanol 250.82
    n-hexane 5.29
    ethylene glycol 78.38
    NMP 344.32
    cyclohexane 4.72
    DMSO 352.19
    n-butyl acetate 180.99
    n-octanol 55.63
    chloroform 669.91
    n-propyl acetate 144.12
    acetic acid 327.18
    dichloromethane 541.28
    cyclohexanone 266.99
    propylene glycol 172.26
    isopropyl acetate 151.24
    DMAc 694.69
    2-ethoxyethanol 284.76
    isopentanol 200.35
    n-heptane 2.49
    ethyl formate 187.73
    1,2-dichloroethane 283.54
    n-hexanol 163.63
    2-methoxyethanol 446.5
    isobutyl acetate 107.0
    tetrachloromethane 53.12
    n-pentyl acetate 85.95
    transcutol 414.09
    n-heptanol 76.11
    ethylbenzene 43.42
    MIBK 125.42
    2-propoxyethanol 276.75
    tert-butanol 369.8
    MTBE 235.28
    2-butoxyethanol 156.9
    propionic acid 220.23
    o-xylene 55.24
    formic acid 144.02
    diethyl ether 147.7
    m-xylene 58.19
    p-xylene 67.39
    chlorobenzene 130.49
    dimethyl carbonate 87.75
    n-octane 2.24
    formamide 211.97
    cyclopentanone 347.02
    2-pentanone 198.06
    anisole 122.87
    cyclopentyl methyl ether 138.9
    gamma-butyrolactone 371.35
    1-methoxy-2-propanol 326.96
    pyridine 249.16
    3-pentanone 138.28
    furfural 340.53
    n-dodecane 2.31
    diethylene glycol 204.9
    diisopropyl ether 34.04
    tert-amyl alcohol 282.68
    acetylacetone 215.36
    n-hexadecane 2.67
    acetophenone 127.42
    methyl propionate 201.6
    isopentyl acetate 175.61
    trichloroethylene 620.31
    n-nonanol 51.82
    cyclohexanol 129.8
    benzyl alcohol 137.92
    2-ethylhexanol 77.26
    isooctanol 61.9
    dipropyl ether 47.69
    1,2-dichlorobenzene 122.04
    ethyl lactate 83.16
    propylene carbonate 242.47
    n-methylformamide 285.29
    2-pentanol 141.47
    n-pentane 3.64
    1-propoxy-2-propanol 177.41
    1-methoxy-2-propyl acetate 181.13
    2-(2-methoxypropoxy) propanol 121.8
    mesitylene 30.34
    ε-caprolactone 240.77
    p-cymene 26.92
    epichlorohydrin 427.52
    1,1,1-trichloroethane 248.67
    2-aminoethanol 202.56
    morpholine-4-carbaldehyde 378.63
    sulfolane 356.92
    2,2,4-trimethylpentane 5.99
    2-methyltetrahydrofuran 278.88
    n-hexyl acetate 108.49
    isooctane 4.22
    2-(2-butoxyethoxy)ethanol 174.41
    sec-butyl acetate 103.59
    tert-butyl acetate 157.17
    decalin 6.02
    glycerin 178.15
    diglyme 279.61
    acrylic acid 181.67
    isopropyl myristate 37.85
    n-butyric acid 330.67
    acetyl acetate 140.62
    di(2-ethylhexyl) phthalate 57.1
    ethyl propionate 110.34
    nitromethane 407.23
    1,2-diethoxyethane 142.49
    benzonitrile 134.52
    trioctyl phosphate 38.78
    1-bromopropane 130.62
    gamma-valerolactone 444.1
    n-decanol 39.44
    triethyl phosphate 54.48
    4-methyl-2-pentanol 82.43
    propionitrile 170.0
    vinylene carbonate 217.55
    1,1,2-trichlorotrifluoroethane 337.02
    DMS 111.23
    cumene 34.97
    2-octanol 48.96
    2-hexanone 142.86
    octyl acetate 54.16
    limonene 36.58
    1,2-dimethoxyethane 362.37
    ethyl orthosilicate 53.29
    tributyl phosphate 46.12
    diacetone alcohol 208.1
    N,N-dimethylaniline 88.87
    acrylonitrile 199.29
    aniline 146.75
    1,3-propanediol 263.5
    bromobenzene 120.27
    dibromomethane 301.38
    1,1,2,2-tetrachloroethane 508.42
    2-methyl-cyclohexyl acetate 88.5
    tetrabutyl urea 57.97
    diisobutyl methanol 37.43
    2-phenylethanol 128.6
    styrene 53.66
    dioctyl adipate 62.13
    dimethyl sulfate 144.43
    ethyl butyrate 106.05
    methyl lactate 121.5
    butyl lactate 85.28
    diethyl carbonate 75.74
    propanediol butyl ether 139.27
    triethyl orthoformate 73.01
    p-tert-butyltoluene 27.16
    methyl 4-tert-butylbenzoate 108.23
    morpholine 437.58
    tert-butylamine 166.45
    n-dodecanol 28.82
    dimethoxymethane 259.26
    ethylene carbonate 174.17
    cyrene 142.37
    2-ethoxyethyl acetate 136.2
    2-ethylhexyl acetate 120.3
    1,2,4-trichlorobenzene 148.88
    4-methylpyridine 267.26
    dibutyl ether 46.36
    2,6-dimethyl-4-heptanol 37.43
    DEF 249.06
    dimethyl isosorbide 191.92
    tetrachloroethylene 284.55
    eugenol 124.7
    triacetin 102.68
    span 80 107.97
    1,4-butanediol 119.76
    1,1-dichloroethane 326.87
    2-methyl-1-pentanol 165.6
    methyl formate 194.36
    2-methyl-1-butanol 193.03
    n-decane 3.65
    butyronitrile 193.43
    3,7-dimethyl-1-octanol 59.32
    1-chlorooctane 25.8
    1-chlorotetradecane 9.76
    n-nonane 3.06
    undecane 2.83
    tert-butylcyclohexane 7.32
    cyclooctane 1.7
    cyclopentanol 156.33
    tetrahydropyran 225.41
    tert-amyl methyl ether 139.5
    2,5,8-trioxanonane 184.75
    1-hexene 40.74
    2-isopropoxyethanol 192.2
    2,2,2-trifluoroethanol 131.47
    methyl butyrate 167.06

    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