Bitertanol

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  • Identifiers

    CAS number
    55179-31-2

    Molecular formula
    C20H23N3O2

    SMILES
    CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 50.53%
    Fruity 41.43%
    Rose 29.79%
    Green 28.78%
    Animal 28.53%
    Fresh 26.58%
    Powdery 24.75%
    Lily 23.82%
    Neroli 23.63%
    Grapefruit 23.14%

     

    Flavor
    Bitter 72.06%
    Odorless 21.03%
    Bland 20.69%
    Mild 19.92%
    Cedarleaf 19.48%
    Sweet-like 19.37%
    Heather 19.33%
    Green pepper 19.16%
    Carrot 19.04%
    Broom 19.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    5.42 (weak acid)

    Molecular weight
    337.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    758°C

    Flash point

    • 203.41 ˚C est.

  • Synonyms

    • Bitertanol
    • 55179-31-2
    • Baycor
    • Biloxazol
    • Baycor 25 WP
    • 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
    • Bay KWG 0599
    • KWG 0599
    • DTXSID2037502
    • GR7Z3Z59G9
    • DTXCID0017502
    • 1-(4-Phenylphenoxy)-1-(1,2,4-triazole-1)-3,3-dimethylbutan-2-ol
    • 1H-1,2,4-Triazole-1-ethanol, beta-((1,1'-biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-
    • beta-((1,1'-Biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
    • RefChem:569582
    • BAY KWG-0599
    • CHEBI:3130
    • KWG-0599
    • 1-(4-biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol
    • 259-513-5
    • Sibutol
    • Baymat-spray
    • MFCD00055508
    • MMV688942
    • Biloxazol; Baycor; Sibutol;KWG0599
    • Bitertanol 10 microg/mL in Acetonitrile
    • Bitertanol [BSI:ISO]
    • 1-([1,1'-biphenyl]-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • EINECS 259-513-5
    • BRN 0620948
    • UNII-GR7Z3Z59G9
    • SCHEMBL23868
    • 5-26-01-00134 (Beilstein Handbook Reference)
    • orb1305172
    • CHEMBL1566634
    • CHEBI:83851
    • MSK21168
    • Tox21_303756
    • 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • AKOS015910524
    • beta-((1,1'-Biphenyl)-4-yloxy)-alpha-tert-butyl-1H-1,2,4-triazol-1-ethanol
    • NCGC00163752-01
    • NCGC00163752-02
    • NCGC00357284-01
    • 1H-1,2,4-Triazole-1-ethanol, .beta.-([1,1'-biphenyl]-4-yloxy)-.alpha.-(1,1-dimethylethyl)-
    • SY465216
    • TS-08485
    • CAS-55179-31-2
    • HY-118216
    • B6034
    • CS-0065463
    • NS00000097
    • Bitertanol, PESTANAL(R), analytical standard
    • H58012
    • 179B312
    • A830508
    • SR-05000022495
    • Q1821798
    • SR-05000022495-1
    • 1-(4-biphenylyloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-ol
    • 1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
    • 1-p-phenylphenoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-ol
    • 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)-2-butanol
    • 1-([1,1'-Biphenyl]-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol
    • 1-[([1,1'-Biphenyl]-4-yl)oxy]-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • (1RS,2RS;1RS,2RS)-1-(Biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • .beta.-((1,1'-Biphenyl)-4-yloxy)-.alpha.-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
    • 55179-31-2

  • Applications

    Bitertanol is an active ingredient used in plant protection as a systemic fungicide to control a range of fungal diseases on crops such as cereals, fruits, and vegetables. It is formulated in emulsifiable concentrates (EC), wettable powders (WP), or granules and applied by foliar spray, soil drench, or seed treatment. It is also considered for post-harvest protection to reduce storage rots on fruits and vegetables, and is used on commercial and ornamental crops; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.93
    methanol 144.95
    isopropanol 48.8
    water 1.25
    ethyl acetate 80.48
    n-propanol 72.43
    acetone 118.87
    n-butanol 63.74
    acetonitrile 57.2
    DMF 77.03
    toluene 126.29
    isobutanol 50.56
    1,4-dioxane 108.98
    methyl acetate 84.1
    THF 293.72
    2-butanone 139.36
    n-pentanol 63.05
    sec-butanol 60.94
    n-hexane 2.72
    ethylene glycol 19.61
    NMP 56.42
    cyclohexane 7.23
    DMSO 147.92
    n-butyl acetate 54.22
    n-octanol 33.15
    chloroform 446.75
    n-propyl acetate 55.84
    acetic acid 115.07
    dichloromethane 390.02
    cyclohexanone 138.55
    propylene glycol 42.49
    isopropyl acetate 50.42
    DMAc 169.04
    2-ethoxyethanol 119.53
    isopentanol 57.72
    n-heptane 4.85
    ethyl formate 69.64
    1,2-dichloroethane 200.03
    n-hexanol 59.27
    2-methoxyethanol 155.3
    isobutyl acetate 48.05
    tetrachloromethane 20.25
    n-pentyl acetate 47.73
    transcutol 246.72
    n-heptanol 49.87
    ethylbenzene 49.89
    MIBK 63.0
    2-propoxyethanol 114.45
    tert-butanol 57.38
    MTBE 54.71
    2-butoxyethanol 94.23
    propionic acid 67.23
    o-xylene 47.39
    formic acid 54.69
    diethyl ether 50.03
    m-xylene 53.1
    p-xylene 69.15
    chlorobenzene 116.59
    dimethyl carbonate 48.21
    n-octane 2.95
    formamide 92.72
    cyclopentanone 145.14
    2-pentanone 91.4
    anisole 78.32
    cyclopentyl methyl ether 76.39
    gamma-butyrolactone 125.43
    1-methoxy-2-propanol 116.42
    pyridine 187.15
    3-pentanone 72.85
    furfural 140.24
    n-dodecane 3.11
    diethylene glycol 81.27
    diisopropyl ether 13.26
    tert-amyl alcohol 64.54
    acetylacetone 99.8
    n-hexadecane 3.44
    acetophenone 82.88
    methyl propionate 70.69
    isopentyl acetate 59.86
    trichloroethylene 399.71
    n-nonanol 34.65
    cyclohexanol 54.62
    benzyl alcohol 89.37
    2-ethylhexanol 38.24
    isooctanol 40.67
    dipropyl ether 34.39
    1,2-dichlorobenzene 86.61
    ethyl lactate 39.57
    propylene carbonate 81.93
    n-methylformamide 54.09
    2-pentanol 39.21
    n-pentane 2.53
    1-propoxy-2-propanol 71.99
    1-methoxy-2-propyl acetate 65.41
    2-(2-methoxypropoxy) propanol 78.97
    mesitylene 23.81
    ε-caprolactone 101.19
    p-cymene 27.28
    epichlorohydrin 239.76
    1,1,1-trichloroethane 118.21
    2-aminoethanol 49.27
    morpholine-4-carbaldehyde 93.92
    sulfolane 126.9
    2,2,4-trimethylpentane 3.71
    2-methyltetrahydrofuran 123.45
    n-hexyl acetate 53.04
    isooctane 2.1
    2-(2-butoxyethoxy)ethanol 107.89
    sec-butyl acetate 41.36
    tert-butyl acetate 50.22
    decalin 5.4
    glycerin 55.36
    diglyme 180.93
    acrylic acid 69.58
    isopropyl myristate 26.79
    n-butyric acid 86.88
    acetyl acetate 52.31
    di(2-ethylhexyl) phthalate 38.64
    ethyl propionate 45.7
    nitromethane 144.65
    1,2-diethoxyethane 71.62
    benzonitrile 78.92
    trioctyl phosphate 24.54
    1-bromopropane 97.55
    gamma-valerolactone 177.39
    n-decanol 26.46
    triethyl phosphate 28.49
    4-methyl-2-pentanol 30.27
    propionitrile 67.34
    vinylene carbonate 85.99
    1,1,2-trichlorotrifluoroethane 157.41
    DMS 48.52
    cumene 30.85
    2-octanol 27.77
    2-hexanone 76.06
    octyl acetate 35.92
    limonene 30.84
    1,2-dimethoxyethane 142.73
    ethyl orthosilicate 28.98
    tributyl phosphate 24.2
    diacetone alcohol 76.73
    N,N-dimethylaniline 53.93
    acrylonitrile 82.17
    aniline 96.79
    1,3-propanediol 71.6
    bromobenzene 125.63
    dibromomethane 246.69
    1,1,2,2-tetrachloroethane 284.09
    2-methyl-cyclohexyl acetate 50.29
    tetrabutyl urea 33.74
    diisobutyl methanol 21.72
    2-phenylethanol 78.83
    styrene 58.5
    dioctyl adipate 44.43
    dimethyl sulfate 62.24
    ethyl butyrate 43.78
    methyl lactate 53.01
    butyl lactate 46.59
    diethyl carbonate 33.12
    propanediol butyl ether 73.78
    triethyl orthoformate 36.99
    p-tert-butyltoluene 24.87
    methyl 4-tert-butylbenzoate 71.13
    morpholine 129.62
    tert-butylamine 29.86
    n-dodecanol 20.3
    dimethoxymethane 106.99
    ethylene carbonate 66.84
    cyrene 79.13
    2-ethoxyethyl acetate 68.82
    2-ethylhexyl acetate 47.01
    1,2,4-trichlorobenzene 101.93
    4-methylpyridine 136.39
    dibutyl ether 31.99
    2,6-dimethyl-4-heptanol 21.72
    DEF 61.09
    dimethyl isosorbide 111.66
    tetrachloroethylene 151.75
    eugenol 79.21
    triacetin 66.1
    span 80 64.45
    1,4-butanediol 35.84
    1,1-dichloroethane 159.14
    2-methyl-1-pentanol 64.9
    methyl formate 57.83
    2-methyl-1-butanol 55.38
    n-decane 4.88
    butyronitrile 64.88
    3,7-dimethyl-1-octanol 32.91
    1-chlorooctane 22.6
    1-chlorotetradecane 10.29
    n-nonane 4.01
    undecane 3.77
    tert-butylcyclohexane 4.81
    cyclooctane 2.45
    cyclopentanol 49.38
    tetrahydropyran 118.96
    tert-amyl methyl ether 46.58
    2,5,8-trioxanonane 125.16
    1-hexene 19.39
    2-isopropoxyethanol 82.88
    2,2,2-trifluoroethanol 44.57
    methyl butyrate 63.71

    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