Fenhexamid

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  • Identifiers

    CAS number
    126833-17-8

    Molecular formula
    C14H17Cl2NO2

    SMILES
    CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 55.45%
    Cooling 33.41%
    Savory 27.65%
    Animal 21.75%
    Burnt 19.2%
    Bitter 19.02%
    Meaty 18.97%
    Phenolic 18.41%
    Mint 17.22%
    Spicy 17.21%

     

    Flavor
    Bitter 72.82%
    Odorless 38.03%
    Mild 24.6%
    Bland 23.63%
    Sweet-like 21.49%
    Nitrile 20.25%
    Orange flower 20.22%
    Cedarleaf 20.03%
    Very strong 19.82%
    Indole 19.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.76 (neutral)

    Molecular weight
    302.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 153 °C

    Boiling point

    • 320 °C

    Flash point

    • 188.96 ˚C est.
    • > 150 °C (> 302 °F)

    Solubility expt.

    • In water, 20 mg/L at 20 °C
    • Solubility in: dichloromethane 31, isopropanol 91, acetonitrile 15, toluene 5.7, n-hexane <0.1 (all in g/L, 20 °C)

  • Synonyms

    • Fenhexamid
    • 126833-17-8
    • Elevate
    • N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide
    • Teldor
    • Decree
    • Fenhexamide
    • KBR 2738
    • Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-
    • KBR2738
    • KBR-2738
    • N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
    • Q68C3C9P1U
    • DTXSID3032549
    • DTXCID1012549
    • CHEBI:81853
    • 2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide
    • 1-methyl-cyclohexanecarboxylic acid (2,3-dichloro-4-hydroxy-phenyl)-amide
    • RefChem:140155
    • 422-530-5
    • 603-167-3
    • MFCD03095700
    • Teldor; Elevate;KBR 2738
    • Fenhexamid 10 microg/mL in Cyclohexane
    • N-(2,3-dichloro-4-hydroxy-phenyl)-1-methyl-cyclohexanecarboxamide
    • Fenhexamid [ISO:BSI]
    • HSDB 7273
    • UNII-Q68C3C9P1U
    • Fenhexamid (Standard)
    • FENHEXAMID [MI]
    • FENHEXAMID [ISO]
    • FENHEXAMID [HSDB]
    • SCHEMBL23092
    • orb1306718
    • CHEMBL1688541
    • SCHEMBL29404613
    • MSK21231
    • WZB81553
    • Tox21_301042
    • AKOS015903660
    • FF23250
    • HY-118065R
    • NCGC00163791-01
    • NCGC00163791-02
    • NCGC00163791-03
    • NCGC00254944-01
    • DA-64720
    • LS-14298
    • HY-118065
    • CAS-126833-17-8
    • CS-0065121
    • F0967
    • NS00008208
    • Fenhexamid, PESTANAL(R), analytical standard
    • C18593
    • T71668
    • Q63395375
    • 126833-17-8

  • Applications

    Fenhexamid (CAS 126833-17-8) is a fungicidal active ingredient used in agricultural crop protection to control Botrytis cinerea on a range of fruit and vegetable crops, including grapes, strawberries, tomatoes, and apples. It is typically applied as foliar sprays in greenhouse and open-field production and can be used in post-harvest protection programs to reduce gray mold during storage. The chemical is commonly formulated into farm-use products and may be incorporated into integrated pest management programs, with formulations such as suspension concentrates available, all subject to local regulations and label restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.71
    methanol 34.06
    isopropanol 28.36
    water 0.01
    ethyl acetate 171.02
    n-propanol 46.21
    acetone 123.01
    n-butanol 47.33
    acetonitrile 20.76
    DMF 240.24
    toluene 90.79
    isobutanol 27.1
    1,4-dioxane 151.58
    methyl acetate 125.53
    THF 458.66
    2-butanone 208.44
    n-pentanol 31.66
    sec-butanol 38.27
    n-hexane 0.53
    ethylene glycol 3.17
    NMP 155.97
    cyclohexane 1.2
    DMSO 62.91
    n-butyl acetate 101.69
    n-octanol 8.34
    chloroform 279.42
    n-propyl acetate 86.02
    acetic acid 50.24
    dichloromethane 189.79
    cyclohexanone 218.37
    propylene glycol 11.62
    isopropyl acetate 114.93
    DMAc 416.91
    2-ethoxyethanol 97.75
    isopentanol 44.12
    n-heptane 0.78
    ethyl formate 55.07
    1,2-dichloroethane 116.57
    n-hexanol 36.23
    2-methoxyethanol 149.26
    isobutyl acetate 51.89
    tetrachloromethane 14.4
    n-pentyl acetate 56.3
    transcutol 365.69
    n-heptanol 20.88
    ethylbenzene 28.43
    MIBK 95.69
    2-propoxyethanol 125.42
    tert-butanol 44.66
    MTBE 89.88
    2-butoxyethanol 75.11
    propionic acid 39.78
    o-xylene 36.96
    formic acid 14.89
    diethyl ether 57.82
    m-xylene 45.18
    p-xylene 35.37
    chlorobenzene 84.57
    dimethyl carbonate 64.96
    n-octane 0.42
    formamide 40.72
    cyclopentanone 270.78
    2-pentanone 162.38
    anisole 96.41
    cyclopentyl methyl ether 117.62
    gamma-butyrolactone 237.45
    1-methoxy-2-propanol 128.56
    pyridine 216.89
    3-pentanone 113.15
    furfural 208.05
    n-dodecane 0.4
    diethylene glycol 67.11
    diisopropyl ether 16.34
    tert-amyl alcohol 54.2
    acetylacetone 202.12
    n-hexadecane 0.48
    acetophenone 96.76
    methyl propionate 139.69
    isopentyl acetate 93.68
    trichloroethylene 396.84
    n-nonanol 10.45
    cyclohexanol 45.98
    benzyl alcohol 79.97
    2-ethylhexanol 22.78
    isooctanol 19.66
    dipropyl ether 26.69
    1,2-dichlorobenzene 66.29
    ethyl lactate 44.93
    propylene carbonate 124.24
    n-methylformamide 72.91
    2-pentanol 30.4
    n-pentane 0.68
    1-propoxy-2-propanol 87.39
    1-methoxy-2-propyl acetate 156.22
    2-(2-methoxypropoxy) propanol 79.87
    mesitylene 18.5
    ε-caprolactone 188.1
    p-cymene 15.23
    epichlorohydrin 336.83
    1,1,1-trichloroethane 121.86
    2-aminoethanol 15.94
    morpholine-4-carbaldehyde 226.38
    sulfolane 153.07
    2,2,4-trimethylpentane 1.53
    2-methyltetrahydrofuran 195.83
    n-hexyl acetate 47.44
    isooctane 1.24
    2-(2-butoxyethoxy)ethanol 112.84
    sec-butyl acetate 70.51
    tert-butyl acetate 136.5
    decalin 1.47
    glycerin 23.09
    diglyme 226.78
    acrylic acid 33.52
    isopropyl myristate 20.63
    n-butyric acid 93.26
    acetyl acetate 90.8
    di(2-ethylhexyl) phthalate 27.75
    ethyl propionate 79.0
    nitromethane 121.12
    1,2-diethoxyethane 105.14
    benzonitrile 69.36
    trioctyl phosphate 16.7
    1-bromopropane 47.96
    gamma-valerolactone 400.78
    n-decanol 7.76
    triethyl phosphate 35.52
    4-methyl-2-pentanol 24.24
    propionitrile 36.84
    vinylene carbonate 111.37
    1,1,2-trichlorotrifluoroethane 178.44
    DMS 66.7
    cumene 15.19
    2-octanol 11.59
    2-hexanone 82.95
    octyl acetate 25.87
    limonene 20.87
    1,2-dimethoxyethane 174.31
    ethyl orthosilicate 34.43
    tributyl phosphate 21.5
    diacetone alcohol 138.87
    N,N-dimethylaniline 52.48
    acrylonitrile 55.23
    aniline 99.3
    1,3-propanediol 44.71
    bromobenzene 81.52
    dibromomethane 95.01
    1,1,2,2-tetrachloroethane 264.0
    2-methyl-cyclohexyl acetate 55.94
    tetrabutyl urea 30.68
    diisobutyl methanol 17.39
    2-phenylethanol 73.42
    styrene 37.29
    dioctyl adipate 39.37
    dimethyl sulfate 78.05
    ethyl butyrate 73.57
    methyl lactate 62.67
    butyl lactate 50.8
    diethyl carbonate 48.04
    propanediol butyl ether 54.06
    triethyl orthoformate 51.17
    p-tert-butyltoluene 16.21
    methyl 4-tert-butylbenzoate 70.75
    morpholine 237.22
    tert-butylamine 20.27
    n-dodecanol 5.84
    dimethoxymethane 220.52
    ethylene carbonate 81.33
    cyrene 86.39
    2-ethoxyethyl acetate 118.18
    2-ethylhexyl acetate 66.8
    1,2,4-trichlorobenzene 87.75
    4-methylpyridine 249.08
    dibutyl ether 15.88
    2,6-dimethyl-4-heptanol 17.39
    DEF 161.72
    dimethyl isosorbide 164.35
    tetrachloroethylene 130.15
    eugenol 70.3
    triacetin 69.9
    span 80 57.24
    1,4-butanediol 12.58
    1,1-dichloroethane 128.1
    2-methyl-1-pentanol 37.76
    methyl formate 54.27
    2-methyl-1-butanol 41.64
    n-decane 0.63
    butyronitrile 43.74
    3,7-dimethyl-1-octanol 15.82
    1-chlorooctane 4.8
    1-chlorotetradecane 2.27
    n-nonane 0.48
    undecane 0.48
    tert-butylcyclohexane 1.7
    cyclooctane 0.49
    cyclopentanol 43.07
    tetrahydropyran 156.93
    tert-amyl methyl ether 73.33
    2,5,8-trioxanonane 142.4
    1-hexene 6.13
    2-isopropoxyethanol 69.85
    2,2,2-trifluoroethanol 19.87
    methyl butyrate 102.83

    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