Triadimefon

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  • Identifiers

    CAS number
    43121-43-3

    Molecular formula
    C14H16ClN3O2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 39.97%
    Fruity 36.07%
    Animal 25.76%
    Green 25.01%
    Grape 24.53%
    Woody 24.48%
    Grapefruit 24.29%
    Neroli 23.57%
    Fresh 23.17%
    Odorless 23.11%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    293.75 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    498°C

    Melting point expt.

    • 180.1 °F (NTP, 1992)
    • 82.3 °C

    Flash point est.
    158.58 ˚C

    Flash point expt.

    • 162 °F /72 °C/

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • Moderately sol in most organic solvents except aliphatics.
    • Solubility (20 °C): 0.6-1.2 kg/kg cyclohexanone
    • In dichloromethane >200, toluene >200, isopropanol 99, hexane 6.3 (all in g/L, 20 °C)
    • In water, of 71.5 mg/L at 25 °C

  • Synonyms

    • TRIADIMEFON
    • 43121-43-3
    • Bayleton
    • Azocene
    • Triadimefone
    • Fenxiunin
    • Amiral
    • Typhon
    • Acizol
    • Adifon
    • Haleton
    • Mighty
    • Miltek
    • Strike
    • Nurex
    • Reach
    • Rofon
    • Bayleton triple
    • Bayleton Total
    • Diametom B
    • 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-
    • Bayleton BM
    • Bayleton CF
    • Bayleton BM gel
    • Otria 25
    • Caswell No. 862AA
    • Triadimefon [BSI:ISO]
    • Triadimefon [ISO]
    • Triadimefone [ISO-French]
    • BAY 6681 F
    • Bay MEB 6447
    • MEB 6447
    • BAY-MEB-6447
    • Tidifon
    • NSC 303303
    • Bayleton special
    • HSDB 6857
    • Bayleton 5
    • EINECS 256-103-8
    • UNII-1HW039CJF0
    • Tartan (fungicide)
    • 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
    • EPA Pesticide Chemical Code 109901
    • BRN 0619231
    • 1HW039CJF0
    • Bayleton 250 EC
    • DTXSID3023897
    • CHEBI:84002
    • 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone
    • BAY 6681F
    • 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
    • 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one
    • TRIADIMEFON [MI]
    • TRIADIMEFON [HSDB]
    • NSC-303303
    • 1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-
    • (+/-)-TRIADIMEFON
    • 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
    • BAY-MEB 6447
    • CHEMBL520897
    • DTXCID403897
    • TRIADIMEFON, (+/-)-
    • 1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone
    • 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-
    • 5-26-01-00123 (Beilstein Handbook Reference)
    • Triadimefone (ISO-French)
    • Tenor
    • 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl) butan-2-one
    • rac-triadimefon
    • triadimenol TP
    • racemic triadimefon
    • (RS)-triadimefon
    • (+-)-triadimefon
    • MFCD00055506
    • TRIADIMEPHON
    • Triadimefon (M01)
    • BAYLETON PB
    • Triadimefon 1000 microg/mL in Acetone
    • Triadimefon (Standard)
    • Triadimefon 10 microg/mL in Cyclohexane
    • BAYLETON 5WP
    • Triadimefon 10 microg/mL in Acetonitrile
    • Spectrum2_001707
    • Spectrum3_001962
    • BAYLETON 25
    • BAYLETON 250EC
    • BAYMEB6447
    • Oprea1_598872
    • Oprea1_827146
    • SCHEMBL21204
    • BSPBio_003562
    • MLS002695917
    • SPECTRUM1505307
    • SPBio_001694
    • CHEBI:9665
    • IFLab1_000075
    • KBio3_002907
    • HMS1412D09
    • HMS3089A16
    • Tox21_300886
    • BDBM50295561
    • CCG-39446
    • NSC303303
    • STL281794
    • AKOS000583075
    • AKOS016050579
    • HY-123037R
    • MSK21202-1000H
    • IDI1_008294
    • USEPA/OPP Pesticide Code: 109901
    • NCGC00094573-01
    • NCGC00094573-02
    • NCGC00094573-03
    • NCGC00094573-04
    • NCGC00094573-05
    • NCGC00094573-06
    • NCGC00094573-07
    • NCGC00254790-01
    • AC-12579
    • BS-42468
    • FT166222
    • SMR000778089
    • CAS-43121-43-3
    • DB-051031
    • HY-123037
    • Triadimefon Solution in Hexane, 1000ug/mL
    • CS-0080945
    • EU-0066688

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 257.17
    methanol 361.05
    isopropanol 134.81
    water 3.9
    ethyl acetate 144.82
    n-propanol 188.15
    acetone 277.04
    n-butanol 163.97
    acetonitrile 104.31
    DMF 334.86
    toluene 493.61
    isobutanol 135.93
    1,4-dioxane 227.19
    methyl acetate 177.88
    THF 469.77
    2-butanone 296.01
    n-pentanol 152.78
    sec-butanol 158.44
    n-hexane 3.63
    ethylene glycol 52.23
    NMP 274.41
    cyclohexane 13.08
    DMSO 229.36
    n-butyl acetate 127.37
    n-octanol 83.21
    chloroform 943.82
    n-propyl acetate 132.38
    acetic acid 229.74
    dichloromethane 695.27
    cyclohexanone 432.97
    propylene glycol 85.01
    isopropyl acetate 88.02
    DMAc 440.77
    2-ethoxyethanol 239.37
    isopentanol 134.55
    n-heptane 7.36
    ethyl formate 177.9
    1,2-dichloroethane 322.23
    n-hexanol 139.08
    2-methoxyethanol 346.74
    isobutyl acetate 93.65
    tetrachloromethane 64.24
    n-pentyl acetate 94.17
    transcutol 330.21
    n-heptanol 104.52
    ethylbenzene 163.29
    MIBK 117.75
    2-propoxyethanol 216.92
    tert-butanol 129.08
    MTBE 91.53
    2-butoxyethanol 169.94
    propionic acid 122.64
    o-xylene 177.83
    formic acid 150.81
    diethyl ether 78.5
    m-xylene 169.47
    p-xylene 301.97
    chlorobenzene 301.0
    dimethyl carbonate 84.47
    n-octane 4.84
    formamide 241.41
    cyclopentanone 388.68
    2-pentanone 198.91
    anisole 211.89
    cyclopentyl methyl ether 178.76
    gamma-butyrolactone 323.11
    1-methoxy-2-propanol 216.01
    pyridine 544.02
    3-pentanone 144.25
    furfural 387.15
    n-dodecane 5.75
    diethylene glycol 172.09
    diisopropyl ether 22.2
    tert-amyl alcohol 141.55
    acetylacetone 193.35
    n-hexadecane 6.56
    acetophenone 242.76
    methyl propionate 136.35
    isopentyl acetate 115.24
    trichloroethylene 783.4
    n-nonanol 77.15
    cyclohexanol 188.76
    benzyl alcohol 276.68
    2-ethylhexanol 85.74
    isooctanol 80.48
    dipropyl ether 58.37
    1,2-dichlorobenzene 202.07
    ethyl lactate 88.27
    propylene carbonate 209.06
    n-methylformamide 183.78
    2-pentanol 95.58
    n-pentane 3.7
    1-propoxy-2-propanol 134.43
    1-methoxy-2-propyl acetate 124.3
    2-(2-methoxypropoxy) propanol 133.17
    mesitylene 62.15
    ε-caprolactone 278.42
    p-cymene 58.88
    epichlorohydrin 408.17
    1,1,1-trichloroethane 275.27
    2-aminoethanol 123.07
    morpholine-4-carbaldehyde 328.98
    sulfolane 258.17
    2,2,4-trimethylpentane 6.03
    2-methyltetrahydrofuran 289.2
    n-hexyl acetate 112.64
    isooctane 3.12
    2-(2-butoxyethoxy)ethanol 174.21
    sec-butyl acetate 86.49
    tert-butyl acetate 90.88
    decalin 12.02
    glycerin 101.97
    diglyme 305.13
    acrylic acid 134.56
    isopropyl myristate 48.77
    n-butyric acid 174.8
    acetyl acetate 96.01
    di(2-ethylhexyl) phthalate 69.98
    ethyl propionate 100.58
    nitromethane 301.19
    1,2-diethoxyethane 125.52
    benzonitrile 259.03
    trioctyl phosphate 45.5
    1-bromopropane 186.68
    gamma-valerolactone 482.85
    n-decanol 58.0
    triethyl phosphate 59.1
    4-methyl-2-pentanol 58.96
    propionitrile 134.47
    vinylene carbonate 223.31
    1,1,2-trichlorotrifluoroethane 316.12
    DMS 98.13
    cumene 79.87
    2-octanol 68.96
    2-hexanone 180.14
    octyl acetate 68.81
    limonene 70.45
    1,2-dimethoxyethane 305.08
    ethyl orthosilicate 56.88
    tributyl phosphate 49.71
    diacetone alcohol 148.88
    N,N-dimethylaniline 153.4
    acrylonitrile 174.0
    aniline 304.05
    1,3-propanediol 174.0
    bromobenzene 305.48
    dibromomethane 469.52
    1,1,2,2-tetrachloroethane 560.2
    2-methyl-cyclohexyl acetate 101.71
    tetrabutyl urea 76.52
    diisobutyl methanol 37.64
    2-phenylethanol 198.79
    styrene 204.18
    dioctyl adipate 78.91
    dimethyl sulfate 116.99
    ethyl butyrate 97.76
    methyl lactate 99.13
    butyl lactate 91.51
    diethyl carbonate 70.34
    propanediol butyl ether 147.67
    triethyl orthoformate 74.12
    p-tert-butyltoluene 51.81
    methyl 4-tert-butylbenzoate 123.24
    morpholine 326.98
    tert-butylamine 69.58
    n-dodecanol 44.18
    dimethoxymethane 204.38
    ethylene carbonate 165.44
    cyrene 170.93
    2-ethoxyethyl acetate 119.07
    2-ethylhexyl acetate 96.22
    1,2,4-trichlorobenzene 251.61
    4-methylpyridine 582.36
    dibutyl ether 58.0
    2,6-dimethyl-4-heptanol 37.64
    DEF 182.09
    dimethyl isosorbide 195.7
    tetrachloroethylene 336.45
    eugenol 146.54
    triacetin 114.23
    span 80 116.53
    1,4-butanediol 93.99
    1,1-dichloroethane 357.16
    2-methyl-1-pentanol 141.93
    methyl formate 184.99
    2-methyl-1-butanol 142.62
    n-decane 8.55
    butyronitrile 153.31
    3,7-dimethyl-1-octanol 71.26
    1-chlorooctane 48.34
    1-chlorotetradecane 19.55
    n-nonane 6.88
    undecane 6.82
    tert-butylcyclohexane 9.72
    cyclooctane 4.08
    cyclopentanol 185.08
    tetrahydropyran 257.49
    tert-amyl methyl ether 88.28
    2,5,8-trioxanonane 206.17
    1-hexene 40.63
    2-isopropoxyethanol 154.42
    2,2,2-trifluoroethanol 107.41
    methyl butyrate 163.33

    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