Triadimenol

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  • Identifiers

    CAS number
    55219-65-3

    Molecular formula
    C14H18ClN3O2

    SMILES
    CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 35.08%
    Odorless 29.61%
    Animal 28.68%
    Fruity 28.26%
    Woody 25.72%
    Musk 23.59%
    Powdery 22.53%
    Grapefruit 22.16%
    Sweet 21.6%
    Mint 21.46%

     

    Flavor
    Bitter 74.01%
    Odorless 30.81%
    Bland 27.78%
    Mild 22.55%
    Sweet-like 20.99%
    Cedarleaf 19.77%
    Green pepper 19.25%
    Carrot 19.15%
    Heather 18.9%
    Broom 18.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    5.71 (weak acid)

    Molecular weight
    295.76 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    524°C

    Melting point expt.

    • 118-130 °C

    Flash point

    • 172.89 ˚C est.

    Solubility expt.

    • Soluble in alcohol, ketones
    • In water, 120 mg/L at 20 °C

  • Synonyms

    • TRIADIMENOL
    • 55219-65-3
    • Baytan
    • Bayfidan
    • Spinnaker
    • Triafol
    • Summit
    • 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
    • Triaphol
    • Baytan 15
    • Tridan Fungicide
    • Bayfrdan EW
    • UK 199
    • Baytan TF 3479B
    • Vydine
    • 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • BAY KWG 0519
    • KWG 0519
    • NFR7MRD9NM
    • alpha-tert-Butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol
    • CHEBI:9666
    • DTXSID0032493
    • 2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol
    • beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
    • DTXCID8012493
    • 1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-
    • RefChem:190816
    • 259-537-6
    • TRIADIMENOL ISOMER B
    • MLS000038204
    • Ethanol, 2-(4-chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)-
    • NCGC00066947-05
    • SMR000038817
    • Triadimenol 10 microg/mL in Acetonitrile
    • Triadimenol 100 microg/mL in Cyclohexane
    • 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol
    • 1H-1,2,4-Triazole-1-ethanol, .beta.-(4-chlorophenoxy)-.alpha.-(1,1-dimethylethyl)-
    • Caswell No. 074A
    • Baytoan
    • Triadimenol [BSI:ISO]
    • Bayfidan EW
    • .beta.-(4-Chlorophenoxy)-.alpha.-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
    • Triadimenol [ISO]
    • UNII-NFR7MRD9NM
    • EINECS 259-537-6
    • EPA Pesticide Chemical Code 127201
    • HSDB 7733
    • (aR,)-rel-a-tert-Butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol PESTANAL
    • Triademenol; TOL
    • b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol(Mixture of Diastereomers) (Triadimenol)
    • Opera_ID_422
    • TRIADIMENOL [MI]
    • TRIADIMENOL [HSDB]
    • Oprea1_784171
    • SCHEMBL21795
    • (+/-)-TRIADIMENOL
    • (1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (IUPAC)
    • CHEMBL520275
    • orb1695012
    • TRIADIMENOL, (+/-)-
    • HMS2234L24
    • HMS3371G07
    • HY-B0851
    • MSK21169
    • Tox21_400077
    • BDBM50486175
    • MFCD00055507
    • AKOS015895519
    • Triadimenol 10 microg/mL in Isooctane
    • Triadimenol 1000 microg/mL in Toluene
    • NCGC00066947-02
    • NCGC00066947-03
    • NCGC00066947-04
    • NCGC00066947-06
    • NCGC00088160-02
    • NCGC00088160-03
    • AS-71892
    • FT137439
    • CAS-55219-65-3
    • DB-071957
    • CS-0012865
    • NS00003904
    • H58011
    • Triadimenol, PESTANAL(R), analytical standard
    • 219T653
    • Q15632882
    • 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-ol
    • a-(4-chlorophenoxy)-b-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
    • 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol #
    • 1H-1,2,4-Triazole-1-propanol, a-[(4-chlorophenoxy)methyl]-a-(1,1-dimethylethyl)-
    • beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol(Mixture of Diastereomers) (Triadimenol)
    • 55219-65-3

  • Applications

    Triadimenol is a systemic fungicide used in agriculture to protect crops from fungal diseases. It is commonly applied as foliar sprays and seed treatments, and can be formulated for soil-drench or nursery/greenhouse applications. Typical use-cases include protection of cereals and other field crops; fruit and vegetable crops; ornamentals and landscape plants; turf management to control fungal diseases on grasses; and seed treatment to protect germinating seeds from pathogens. Applications are governed by product labels and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 211.33
    methanol 308.43
    isopropanol 118.39
    water 6.08
    ethyl acetate 90.48
    n-propanol 148.88
    acetone 177.33
    n-butanol 127.96
    acetonitrile 61.6
    DMF 210.66
    toluene 211.99
    isobutanol 109.24
    1,4-dioxane 175.34
    methyl acetate 112.83
    THF 393.67
    2-butanone 184.11
    n-pentanol 123.82
    sec-butanol 133.94
    n-hexane 2.56
    ethylene glycol 61.61
    NMP 149.89
    cyclohexane 9.59
    DMSO 219.2
    n-butyl acetate 92.24
    n-octanol 77.14
    chloroform 496.96
    n-propyl acetate 90.68
    acetic acid 194.54
    dichloromethane 335.52
    cyclohexanone 246.35
    propylene glycol 109.35
    isopropyl acetate 60.72
    DMAc 338.49
    2-ethoxyethanol 230.59
    isopentanol 109.16
    n-heptane 6.99
    ethyl formate 114.95
    1,2-dichloroethane 162.34
    n-hexanol 121.52
    2-methoxyethanol 321.55
    isobutyl acetate 71.21
    tetrachloromethane 33.73
    n-pentyl acetate 75.33
    transcutol 337.22
    n-heptanol 99.08
    ethylbenzene 82.83
    MIBK 84.84
    2-propoxyethanol 212.37
    tert-butanol 131.79
    MTBE 81.36
    2-butoxyethanol 168.85
    propionic acid 95.7
    o-xylene 89.27
    formic acid 138.91
    diethyl ether 50.53
    m-xylene 87.93
    p-xylene 150.04
    chlorobenzene 154.68
    dimethyl carbonate 59.72
    n-octane 4.18
    formamide 183.38
    cyclopentanone 233.09
    2-pentanone 122.79
    anisole 132.92
    cyclopentyl methyl ether 125.13
    gamma-butyrolactone 201.71
    1-methoxy-2-propanol 218.34
    pyridine 299.79
    3-pentanone 87.66
    furfural 252.53
    n-dodecane 4.81
    diethylene glycol 177.51
    diisopropyl ether 15.95
    tert-amyl alcohol 132.99
    acetylacetone 128.88
    n-hexadecane 5.35
    acetophenone 156.22
    methyl propionate 90.98
    isopentyl acetate 94.3
    trichloroethylene 414.24
    n-nonanol 73.75
    cyclohexanol 143.19
    benzyl alcohol 190.41
    2-ethylhexanol 76.45
    isooctanol 74.71
    dipropyl ether 49.91
    1,2-dichlorobenzene 114.5
    ethyl lactate 76.78
    propylene carbonate 139.63
    n-methylformamide 123.98
    2-pentanol 78.5
    n-pentane 2.78
    1-propoxy-2-propanol 138.16
    1-methoxy-2-propyl acetate 107.54
    2-(2-methoxypropoxy) propanol 131.54
    mesitylene 38.19
    ε-caprolactone 178.67
    p-cymene 44.27
    epichlorohydrin 264.3
    1,1,1-trichloroethane 146.82
    2-aminoethanol 131.28
    morpholine-4-carbaldehyde 243.09
    sulfolane 180.46
    2,2,4-trimethylpentane 5.2
    2-methyltetrahydrofuran 200.39
    n-hexyl acetate 86.19
    isooctane 2.89
    2-(2-butoxyethoxy)ethanol 171.64
    sec-butyl acetate 62.55
    tert-butyl acetate 71.44
    decalin 7.79
    glycerin 133.35
    diglyme 279.9
    acrylic acid 102.52
    isopropyl myristate 40.84
    n-butyric acid 133.76
    acetyl acetate 60.28
    di(2-ethylhexyl) phthalate 61.58
    ethyl propionate 65.07
    nitromethane 207.39
    1,2-diethoxyethane 105.67
    benzonitrile 148.57
    trioctyl phosphate 41.67
    1-bromopropane 89.86
    gamma-valerolactone 324.13
    n-decanol 55.18
    triethyl phosphate 48.94
    4-methyl-2-pentanol 52.51
    propionitrile 75.1
    vinylene carbonate 143.45
    1,1,2-trichlorotrifluoroethane 250.45
    DMS 69.44
    cumene 49.39
    2-octanol 61.69
    2-hexanone 118.96
    octyl acetate 58.82
    limonene 53.95
    1,2-dimethoxyethane 254.23
    ethyl orthosilicate 48.3
    tributyl phosphate 42.32
    diacetone alcohol 132.84
    N,N-dimethylaniline 105.97
    acrylonitrile 101.18
    aniline 180.91
    1,3-propanediol 170.52
    bromobenzene 148.83
    dibromomethane 216.94
    1,1,2,2-tetrachloroethane 326.17
    2-methyl-cyclohexyl acetate 84.84
    tetrabutyl urea 63.23
    diisobutyl methanol 35.44
    2-phenylethanol 155.49
    styrene 98.62
    dioctyl adipate 67.96
    dimethyl sulfate 83.98
    ethyl butyrate 71.75
    methyl lactate 90.04
    butyl lactate 81.85
    diethyl carbonate 52.45
    propanediol butyl ether 153.27
    triethyl orthoformate 62.33
    p-tert-butyltoluene 40.6
    methyl 4-tert-butylbenzoate 104.15
    morpholine 249.61
    tert-butylamine 65.43
    n-dodecanol 41.91
    dimethoxymethane 155.63
    ethylene carbonate 106.74
    cyrene 142.39
    2-ethoxyethyl acetate 96.04
    2-ethylhexyl acetate 74.48
    1,2,4-trichlorobenzene 149.63
    4-methylpyridine 303.56
    dibutyl ether 46.03
    2,6-dimethyl-4-heptanol 35.44
    DEF 117.18
    dimethyl isosorbide 179.97
    tetrachloroethylene 182.24
    eugenol 122.55
    triacetin 95.65
    span 80 115.1
    1,4-butanediol 89.92
    1,1-dichloroethane 184.15
    2-methyl-1-pentanol 114.04
    methyl formate 120.16
    2-methyl-1-butanol 109.74
    n-decane 7.16
    butyronitrile 89.29
    3,7-dimethyl-1-octanol 67.1
    1-chlorooctane 36.4
    1-chlorotetradecane 15.67
    n-nonane 5.85
    undecane 5.67
    tert-butylcyclohexane 6.88
    cyclooctane 3.46
    cyclopentanol 141.69
    tetrahydropyran 176.5
    tert-amyl methyl ether 73.48
    2,5,8-trioxanonane 200.49
    1-hexene 22.94
    2-isopropoxyethanol 148.07
    2,2,2-trifluoroethanol 82.39
    methyl butyrate 104.86

    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