Penconazole

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  • Identifiers

    CAS number
    66246-88-6

    Molecular formula
    C13H15Cl2N3

    SMILES
    CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 37.67%
    Odorless 28.45%
    Roasted 26.88%
    Burnt 26.8%
    Floral 24.76%
    Fatty 22.66%
    Fresh 21.33%
    Meaty 21.05%
    Savory 20.58%
    Cooked 18.75%

     

    Flavor
    Bitter 59.17%
    Odorless 26.1%
    Bland 22.52%
    Mild 21.65%
    Cedarleaf 20.39%
    Nitrile 19.98%
    Green pepper 19.51%
    Very strong 19.46%
    Syrup 19.29%
    Carrot 19.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    5.02 (weak acid)

    Molecular weight
    284.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    464°C

    Flash point

    • 182.02 ˚C est.

  • Synonyms

    • Penconazole
    • 66246-88-6
    • Topaze
    • topas
    • Onmex
    • Award
    • 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-
    • 1-(2-(2,4-Dichlorophenyl)pentyl)-1H-1,2,4-triazole
    • 3UN9F9ZJ43
    • DTXSID8042260
    • CGA-71818
    • 1-[2-(2,4-Dichlorophenyl)pentyl]-1H-1,2,4-triazole
    • 1H-1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)-
    • DTXCID6022260
    • Gold Topaz
    • Gold Topaz 8121
    • RefChem:56368
    • CHEBI:81970
    • 1-(2,4-dichloro-beta-propylphenethyl)-1H-1,2,4-triazole
    • 266-275-6
    • Topaz
    • 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole
    • CGA 71818
    • Penconazol
    • MFCD00078737
    • Penconazole 10 microg/mL in Cyclohexane
    • Penconazole 100 microg/mL in Acetonitrile
    • Topaze C
    • Penconazole 66246-88-6
    • Penconazole [BSI:ISO]
    • EINECS 266-275-6
    • BRN 0541488
    • UNII-3UN9F9ZJ43
    • Penconazole (Standard)
    • Topas 100
    • PENCONAZOLE [MI]
    • PENCONAZOLE [ISO]
    • SCHEMBL24791
    • 5-26-01-00149 (Beilstein Handbook Reference)
    • CHEMBL481474
    • orb3027069
    • SCHEMBL29416459
    • CHEBI:83993
    • MSK21174
    • Tox21_301318
    • AKOS015906183
    • HY-135761R
    • NCGC00166157-01
    • NCGC00255892-01
    • AC-12494
    • AS-14842
    • FP161161
    • CAS-66246-88-6
    • DB-054891
    • HY-135761
    • CS-0113947
    • NS00000523
    • Penconazol, PESTANAL(R), analytical standard
    • C18801
    • E76108
    • 246P886
    • 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole
    • Q2426626
    • 1-[2-(2,4-dichlorophenyl)-pentyl]-1H-1,2,4-triazole
    • (RS)-1-(2-(2,4-DICHLOROPHENYL)-N-PENTYL)-1H-1,2,4-TRIAZOLE
    • 1-(2-(2,4-DICHLOROPHENYL)PENTYL)-1H-1,2,4-TRIAZOLE, (+/-)-
    • 66246-88-6

  • Applications

    Penconazole (CAS 66246-88-6) is a triazole fungicide used in crop protection to prevent and control fungal diseases such as powdery mildew, rusts, and leaf spots. It is commonly applied as a preventive foliar spray in field crops (for example cereals), fruit crops (apples, grapes), vegetables, and ornamental horticulture, including greenhouse production, to protect foliage and improve yield quality. As a systemic fungicide, it is typically integrated into broad crop protection programs and may be used in rotation with other fungicides within integrated pest management strategies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 264.96
    methanol 246.4
    isopropanol 128.37
    water 0.18
    ethyl acetate 306.48
    n-propanol 224.98
    acetone 599.23
    n-butanol 240.8
    acetonitrile 171.68
    DMF 753.47
    toluene 473.52
    isobutanol 173.06
    1,4-dioxane 520.68
    methyl acetate 289.74
    THF 1030.34
    2-butanone 527.23
    n-pentanol 193.37
    sec-butanol 135.2
    n-hexane 2.37
    ethylene glycol 59.41
    NMP 536.51
    cyclohexane 12.55
    DMSO 572.11
    n-butyl acetate 208.83
    n-octanol 47.84
    chloroform 1603.44
    n-propyl acetate 199.78
    acetic acid 234.5
    dichloromethane 1729.83
    cyclohexanone 734.8
    propylene glycol 98.29
    isopropyl acetate 159.31
    DMAc 714.26
    2-ethoxyethanol 347.76
    isopentanol 201.36
    n-heptane 4.77
    ethyl formate 251.27
    1,2-dichloroethane 860.16
    n-hexanol 136.0
    2-methoxyethanol 527.78
    isobutyl acetate 150.86
    tetrachloromethane 141.8
    n-pentyl acetate 139.7
    transcutol 801.28
    n-heptanol 69.64
    ethylbenzene 102.49
    MIBK 188.37
    2-propoxyethanol 290.78
    tert-butanol 135.54
    MTBE 142.82
    2-butoxyethanol 173.02
    propionic acid 137.81
    o-xylene 146.52
    formic acid 90.01
    diethyl ether 154.46
    m-xylene 184.84
    p-xylene 141.38
    chlorobenzene 512.37
    dimethyl carbonate 171.33
    n-octane 2.22
    formamide 161.81
    cyclopentanone 776.79
    2-pentanone 373.57
    anisole 258.43
    cyclopentyl methyl ether 353.29
    gamma-butyrolactone 585.82
    1-methoxy-2-propanol 310.23
    pyridine 847.37
    3-pentanone 268.39
    furfural 628.53
    n-dodecane 2.9
    diethylene glycol 234.33
    diisopropyl ether 37.6
    tert-amyl alcohol 122.38
    acetylacetone 399.85
    n-hexadecane 3.5
    acetophenone 270.02
    methyl propionate 285.84
    isopentyl acetate 190.9
    trichloroethylene 1920.97
    n-nonanol 48.36
    cyclohexanol 260.7
    benzyl alcohol 333.61
    2-ethylhexanol 87.47
    isooctanol 62.4
    dipropyl ether 84.37
    1,2-dichlorobenzene 370.2
    ethyl lactate 109.46
    propylene carbonate 333.9
    n-methylformamide 274.48
    2-pentanol 104.99
    n-pentane 3.18
    1-propoxy-2-propanol 177.33
    1-methoxy-2-propyl acetate 233.06
    2-(2-methoxypropoxy) propanol 170.68
    mesitylene 74.45
    ε-caprolactone 439.81
    p-cymene 61.61
    epichlorohydrin 1028.42
    1,1,1-trichloroethane 629.15
    2-aminoethanol 125.69
    morpholine-4-carbaldehyde 610.13
    sulfolane 565.42
    2,2,4-trimethylpentane 6.41
    2-methyltetrahydrofuran 534.31
    n-hexyl acetate 138.25
    isooctane 4.37
    2-(2-butoxyethoxy)ethanol 250.92
    sec-butyl acetate 136.36
    tert-butyl acetate 164.41
    decalin 10.19
    glycerin 126.09
    diglyme 455.59
    acrylic acid 158.68
    isopropyl myristate 61.91
    n-butyric acid 238.58
    acetyl acetate 192.45
    di(2-ethylhexyl) phthalate 92.81
    ethyl propionate 152.86
    nitromethane 392.39
    1,2-diethoxyethane 269.3
    benzonitrile 331.6
    trioctyl phosphate 56.08
    1-bromopropane 305.26
    gamma-valerolactone 864.34
    n-decanol 39.18
    triethyl phosphate 85.71
    4-methyl-2-pentanol 68.6
    propionitrile 175.36
    vinylene carbonate 346.53
    1,1,2-trichlorotrifluoroethane 618.73
    DMS 157.03
    cumene 60.26
    2-octanol 43.59
    2-hexanone 224.8
    octyl acetate 82.87
    limonene 86.72
    1,2-dimethoxyethane 466.91
    ethyl orthosilicate 83.67
    tributyl phosphate 67.91
    diacetone alcohol 209.29
    N,N-dimethylaniline 147.67
    acrylonitrile 242.23
    aniline 465.64
    1,3-propanediol 205.65
    bromobenzene 597.28
    dibromomethane 909.67
    1,1,2,2-tetrachloroethane 1128.44
    2-methyl-cyclohexyl acetate 146.47
    tetrabutyl urea 93.03
    diisobutyl methanol 49.37
    2-phenylethanol 235.12
    styrene 174.11
    dioctyl adipate 112.09
    dimethyl sulfate 245.49
    ethyl butyrate 152.81
    methyl lactate 142.68
    butyl lactate 123.34
    diethyl carbonate 116.41
    propanediol butyl ether 155.62
    triethyl orthoformate 113.01
    p-tert-butyltoluene 56.92
    methyl 4-tert-butylbenzoate 153.85
    morpholine 636.94
    tert-butylamine 70.33
    n-dodecanol 31.77
    dimethoxymethane 519.53
    ethylene carbonate 281.26
    cyrene 246.43
    2-ethoxyethyl acetate 237.95
    2-ethylhexyl acetate 156.77
    1,2,4-trichlorobenzene 457.74
    4-methylpyridine 806.82
    dibutyl ether 69.65
    2,6-dimethyl-4-heptanol 49.37
    DEF 363.6
    dimethyl isosorbide 313.19
    tetrachloroethylene 697.23
    eugenol 185.02
    triacetin 165.51
    span 80 141.55
    1,4-butanediol 121.52
    1,1-dichloroethane 713.23
    2-methyl-1-pentanol 191.82
    methyl formate 266.99
    2-methyl-1-butanol 198.3
    n-decane 3.84
    butyronitrile 229.95
    3,7-dimethyl-1-octanol 63.07
    1-chlorooctane 35.73
    1-chlorotetradecane 17.22
    n-nonane 2.99
    undecane 3.26
    tert-butylcyclohexane 8.75
    cyclooctane 3.19
    cyclopentanol 253.93
    tetrahydropyran 538.4
    tert-amyl methyl ether 117.91
    2,5,8-trioxanonane 315.75
    1-hexene 31.2
    2-isopropoxyethanol 224.27
    2,2,2-trifluoroethanol 107.06
    methyl butyrate 227.41

    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