Pendimethalin

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  • Identifiers

    CAS number
    40487-42-1

    Molecular formula
    C13H19N3O4

    SMILES
    CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 47.07%
    Sweet 32.56%
    Musk 32.17%
    Fatty 30.05%
    Milky 26.89%
    Grape 25.07%
    Dry 24.16%
    Animal 23.88%
    Savory 23.22%
    Citrus 21.22%

     

    Flavor
    Bitter 63.72%
    Odorless 44.56%
    Bland 27.93%
    Mild 24.83%
    Sweet-like 20.06%
    Nitrile 20.05%
    Cedarleaf 19.57%
    Heather 18.77%
    Oriental 18.65%
    Parsley 18.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.58 (neutral)

    Molecular weight
    281.31 g/mol

    Melting point expt.

    • 56-57 °C

    Boiling point

    • Decomposes on distillation

    Flash point

    • 157.4 ˚C est.
    • Flashpoint of Prowl: 92 °F (closed cup); 124 °F (open cup) /Prowl/

    Solubility expt.

    • Soluble in most organic solvents
    • All at 20 °C: acetone, 800 g/L; xylene, >800 g/L; hexane, 48.98 g/L, dichloromethane, >800 g/L; Readily soluble in benzene, toluene, and chloroform; slighlty soluble in petroleum ether and petrol
    • Acetone, 161; DMSO, 21.4; n-heptane, 11.2; methanol, 5.5; methylene chloride, 232; toluene, 128.4; xylene soluble (all in g/100 mL, 25 °C)
    • In water, 0.33 mg/L at 20 °C

  • Synonyms

    • PENDIMETHALIN
    • 40487-42-1
    • Pendimethaline
    • Penoxaline
    • Prowl
    • Phenoxalin
    • Herbadox
    • Accotab
    • Stomp
    • Penoxyn
    • Sipaxol
    • 3,4-Dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline
    • Way Up
    • Tendimethalin
    • Go-Go-San
    • Wayup
    • SWGC
    • N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine
    • Stomp 330D
    • Stomp 330E
    • Southern Weed Grass Control
    • Caswell No. 454BB
    • N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine
    • 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline
    • AC 92553
    • N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline
    • N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline
    • VL6L14C06U
    • DTXSID7024245
    • Aniline, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-
    • 3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-
    • N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline
    • DTXCID004245
    • Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-
    • CHEBI:83569
    • N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin
    • N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin
    • RefChem:170769
    • Pay-Off
    • Penoxalin
    • Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-
    • 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
    • MFCD00055332
    • Pendimethaline [ISO-French]
    • CAS-40487-42-1
    • Pendimethalin [ISO]
    • Pendimethalin [ANSI:BSI:ISO]
    • HSDB 6721
    • EINECS 254-938-2
    • EPA Pesticide Chemical Code 108501
    • BRN 2157711
    • UNII-VL6L14C06U
    • Herbodox
    • Prowl 4E
    • Prowl(TM)
    • N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin [German]
    • Prowl 3.3
    • N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin [German]
    • Pendimethalin (Standard)
    • Pre-M 60DG
    • PENDIMETHALIN [MI]
    • PENDIMETHALIN [HSDB]
    • Oprea1_039175
    • SCHEMBL21821
    • BIDD:ER0107
    • orb1303235
    • orb3025216
    • CHEMBL1256630
    • SCHEMBL11073392
    • SCHEMBL29392877
    • HY-B0862R
    • N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitro-benzenamine
    • HY-B0862
    • MSK22249
    • Tox21_201896
    • Tox21_300867
    • AKOS001705353
    • AKOS040758114
    • EBC-258041
    • NCGC00163941-01
    • NCGC00163941-02
    • NCGC00163941-03
    • NCGC00163941-04
    • NCGC00254771-01
    • NCGC00259445-01
    • LS-14236
    • Pendimethalin 1000 microg/mL in Acetone
    • Pendimethalin 1000 microg/mL in Toluene
    • SY107363
    • DB-049600
    • Pendimethalin 10 microg/mL in Acetonitrile
    • Pendimethalin 100 microg/mL in Cyclohexane
    • CS-0012876
    • NS00000529
    • P1964
    • 3,4-dimethyl-2,6 -dinitro-N-3-pentylaniline
    • D92175
    • Prowl(R) (Pendimethaline), analytical standard
    • 3,4-Dimethyl-2,6-dinitro-N-(3-pentyl)aniline
    • EN300-7409229
    • Pendimethalin, PESTANAL(R), analytical standard
    • 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline
    • 487P421
    • Q423895
    • 2,6-dinitro-N-(1-ethylpropyl)-3,4-dimethylaniline
    • N-(1-ethylpropyl)-2,6-dinitro-3,4-dimethyl-benzenamine
    • N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline #
    • Z3221533686
    • 40487-42-1

  • Applications

    Pendimethalin (CAS 40487-42-1) is a selective herbicide active ingredient used in agriculture to control grasses and some broadleaf weeds in crops such as corn, wheat, rice, and soybeans, as well as in turf and landscape management. It is commonly formulated in pre-emergence products in emulsifiable concentrates (EC) or granular forms, and it works by inhibiting cell division in germinating weed seeds to prevent emergence and growth. It is frequently used as part of tank-mixed herbicide programs and in crop-rotation strategies within field production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.11
    methanol 54.61
    isopropanol 39.01
    water 0.15
    ethyl acetate 394.56
    n-propanol 56.28
    acetone 492.0
    n-butanol 53.13
    acetonitrile 285.22
    DMF 1385.67
    toluene 261.42
    isobutanol 46.2
    1,4-dioxane 355.73
    methyl acetate 480.66
    THF 869.36
    2-butanone 512.46
    n-pentanol 37.61
    sec-butanol 50.2
    n-hexane 5.96
    ethylene glycol 24.72
    NMP 2843.85
    cyclohexane 17.8
    DMSO 829.06
    n-butyl acetate 197.64
    n-octanol 13.98
    chloroform 907.5
    n-propyl acetate 160.74
    acetic acid 200.4
    dichloromethane 1133.55
    cyclohexanone 825.72
    propylene glycol 32.5
    isopropyl acetate 213.62
    DMAc 1521.53
    2-ethoxyethanol 106.71
    isopentanol 58.11
    n-heptane 3.76
    ethyl formate 179.97
    1,2-dichloroethane 920.83
    n-hexanol 49.47
    2-methoxyethanol 228.53
    isobutyl acetate 91.74
    tetrachloromethane 102.02
    n-pentyl acetate 98.44
    transcutol 299.62
    n-heptanol 20.91
    ethylbenzene 91.64
    MIBK 181.58
    2-propoxyethanol 169.12
    tert-butanol 63.47
    MTBE 120.46
    2-butoxyethanol 72.0
    propionic acid 162.97
    o-xylene 153.55
    formic acid 87.22
    diethyl ether 127.18
    m-xylene 153.44
    p-xylene 119.17
    chlorobenzene 489.98
    dimethyl carbonate 354.73
    n-octane 1.41
    formamide 257.31
    cyclopentanone 1371.19
    2-pentanone 346.95
    anisole 236.39
    cyclopentyl methyl ether 384.1
    gamma-butyrolactone 1465.93
    1-methoxy-2-propanol 173.99
    pyridine 831.11
    3-pentanone 392.68
    furfural 1046.3
    n-dodecane 1.01
    diethylene glycol 133.91
    diisopropyl ether 42.53
    tert-amyl alcohol 74.83
    acetylacetone 654.37
    n-hexadecane 1.34
    acetophenone 317.67
    methyl propionate 476.2
    isopentyl acetate 175.39
    trichloroethylene 2119.6
    n-nonanol 14.89
    cyclohexanol 110.95
    benzyl alcohol 162.25
    2-ethylhexanol 40.34
    isooctanol 19.44
    dipropyl ether 52.56
    1,2-dichlorobenzene 485.74
    ethyl lactate 97.22
    propylene carbonate 622.86
    n-methylformamide 443.34
    2-pentanol 42.27
    n-pentane 5.81
    1-propoxy-2-propanol 107.95
    1-methoxy-2-propyl acetate 279.29
    2-(2-methoxypropoxy) propanol 126.42
    mesitylene 81.11
    ε-caprolactone 657.81
    p-cymene 50.33
    epichlorohydrin 1639.16
    1,1,1-trichloroethane 689.06
    2-aminoethanol 42.54
    morpholine-4-carbaldehyde 1143.79
    sulfolane 1881.43
    2,2,4-trimethylpentane 6.78
    2-methyltetrahydrofuran 577.46
    n-hexyl acetate 121.66
    isooctane 4.01
    2-(2-butoxyethoxy)ethanol 116.12
    sec-butyl acetate 126.09
    tert-butyl acetate 243.04
    decalin 13.14
    glycerin 71.04
    diglyme 285.69
    acrylic acid 215.95
    isopropyl myristate 41.8
    n-butyric acid 185.44
    acetyl acetate 351.05
    di(2-ethylhexyl) phthalate 68.75
    ethyl propionate 206.45
    nitromethane 980.71
    1,2-diethoxyethane 115.64
    benzonitrile 256.0
    trioctyl phosphate 38.43
    1-bromopropane 250.74
    gamma-valerolactone 1273.58
    n-decanol 11.18
    triethyl phosphate 100.98
    4-methyl-2-pentanol 32.1
    propionitrile 181.47
    vinylene carbonate 530.16
    1,1,2-trichlorotrifluoroethane 752.0
    DMS 313.29
    cumene 54.76
    2-octanol 13.15
    2-hexanone 164.97
    octyl acetate 58.5
    limonene 73.69
    1,2-dimethoxyethane 257.4
    ethyl orthosilicate 78.35
    tributyl phosphate 57.17
    diacetone alcohol 252.29
    N,N-dimethylaniline 159.95
    acrylonitrile 361.18
    aniline 301.39
    1,3-propanediol 68.29
    bromobenzene 548.72
    dibromomethane 560.1
    1,1,2,2-tetrachloroethane 1337.95
    2-methyl-cyclohexyl acetate 147.28
    tetrabutyl urea 82.51
    diisobutyl methanol 25.96
    2-phenylethanol 156.52
    styrene 129.56
    dioctyl adipate 95.44
    dimethyl sulfate 820.58
    ethyl butyrate 143.85
    methyl lactate 233.42
    butyl lactate 78.87
    diethyl carbonate 114.09
    propanediol butyl ether 59.37
    triethyl orthoformate 90.12
    p-tert-butyltoluene 49.62
    methyl 4-tert-butylbenzoate 180.33
    morpholine 481.28
    tert-butylamine 36.26
    n-dodecanol 8.76
    dimethoxymethane 458.48
    ethylene carbonate 388.93
    cyrene 254.63
    2-ethoxyethyl acetate 200.53
    2-ethylhexyl acetate 150.89
    1,2,4-trichlorobenzene 635.08
    4-methylpyridine 814.27
    dibutyl ether 28.24
    2,6-dimethyl-4-heptanol 25.96
    DEF 601.96
    dimethyl isosorbide 393.46
    tetrachloroethylene 704.82
    eugenol 146.36
    triacetin 181.72
    span 80 83.39
    1,4-butanediol 27.47
    1,1-dichloroethane 610.64
    2-methyl-1-pentanol 49.4
    methyl formate 378.14
    2-methyl-1-butanol 61.86
    n-decane 1.62
    butyronitrile 132.53
    3,7-dimethyl-1-octanol 24.3
    1-chlorooctane 16.25
    1-chlorotetradecane 6.73
    n-nonane 1.37
    undecane 1.26
    tert-butylcyclohexane 8.7
    cyclooctane 5.43
    cyclopentanol 161.51
    tetrahydropyran 330.93
    tert-amyl methyl ether 124.81
    2,5,8-trioxanonane 203.53
    1-hexene 30.51
    2-isopropoxyethanol 79.28
    2,2,2-trifluoroethanol 154.34
    methyl butyrate 243.18

    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