Mandestrobin

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  • Identifiers

    CAS number
    173662-97-0

    Molecular formula
    C19H23NO3

    SMILES
    CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(C(=O)NC)OC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 40.47%
    Grape 36.24%
    Floral 35.56%
    Sweet 33.44%
    Grapefruit 27.84%
    Citrus 25.44%
    Savory 23.91%
    Milky 22.37%
    Animal 22.34%
    Mint 22.27%

     

    Flavor
    Fruity 43.34%
    Bitter 31.96%
    Odorless 24.9%
    Mild 24.27%
    Powdery 22.01%
    Grape 21.72%
    Orange flower 20.9%
    Sweet 20.08%
    Bland 20.0%
    Ethyl benzoate 19.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.92 (neutral)

    Molecular weight
    313.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    487°C

    Flash point

    • 174.84 ˚C est.

  • Synonyms

    • Mandestrobin
    • 173662-97-0
    • SXB20U6Z56
    • S-2200
    • DTXSID20894968
    • 2-(2-(2,5-Dimethylphenoxymethyl)phenyl)-2-methoxy-N-methylacetamide
    • Benzeneacetamide, 2-((2,5-dimethylphenoxy)methyl)-alpha-methoxy-N-methyl-
    • 2-[2-(2,5-dimethylphenoxymethyl)phenyl]-2-methoxy-N-methylacetamide
    • RefChem:809768
    • CHEBI:83205
    • DTXCID501324527
    • Benzeneacetamide, 2-((2,5-dimethylphenoxy)methyl)-alpha-methoxy-N-methyl-, (alphaR)-
    • Mandestrobin [ISO]
    • 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methyl-acetamide
    • 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
    • 2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-methoxy-N-methylacetamide
    • UNII-SXB20U6Z56
    • BENZENEACETAMIDE, 2-((2,5-DIMETHYLPHENOXY)METHYL)-.ALPHA.-METHOXY-N-METHYL-
    • Benzeneacetamide, 2-[(2,5-dimethylphenoxy)methyl]-.alpha.-methoxy-N-methyl-
    • Benzeneacetamide, 2-[(2,5-dimethylphenoxy)methyl]-a-methoxy-N-methyl-; 2-[2-(2,5-imethylphenoxymethyl)phenyl]-2-methoxy-N-methylacetamide; Mandestrobin; S 2200; S 2200 (fungicide)
    • Mandestrobin 100 microg/mL in Acetonitrile
    • SCHEMBL182597
    • SCHEMBL29354984
    • SCHEMBL29371189
    • CHEBI:83208
    • MSK21375
    • MFCD29905044
    • AKOS034834139
    • NS00124306
    • Q27156687
    • 2-[2-(2,5-dimethylphenoxymethyl)phenyl]-2-methoxy-N-methylac etamide
    • 173662-97-0

  • Applications

    Mandestrobin (CAS 173662-97-0) is a fungicidal active ingredient used in plant protection products to control fungal diseases in crops. Typical applications include foliar sprays for field and greenhouse crops across cereals (e.g., wheat, barley), fruits, vegetables, and ornamentals; formulations commonly offered as emulsifiable concentrates (EC), suspension concentrates (SC), or water-dispersible granules (WG); used in both open-field and greenhouse production and often integrated into disease management programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.35
    methanol 85.94
    isopropanol 38.72
    water 0.92
    ethyl acetate 92.32
    n-propanol 49.35
    acetone 126.14
    n-butanol 41.88
    acetonitrile 63.08
    DMF 124.58
    toluene 26.08
    isobutanol 37.16
    1,4-dioxane 154.7
    methyl acetate 84.72
    THF 140.44
    2-butanone 83.17
    n-pentanol 39.65
    sec-butanol 36.02
    n-hexane 1.96
    ethylene glycol 23.01
    NMP 69.89
    cyclohexane 4.26
    DMSO 165.52
    n-butyl acetate 40.07
    n-octanol 17.4
    chloroform 357.14
    n-propyl acetate 53.78
    acetic acid 162.92
    dichloromethane 370.93
    cyclohexanone 123.99
    propylene glycol 21.91
    isopropyl acetate 51.54
    DMAc 170.8
    2-ethoxyethanol 116.03
    isopentanol 38.28
    n-heptane 1.97
    ethyl formate 60.92
    1,2-dichloroethane 227.22
    n-hexanol 33.74
    2-methoxyethanol 135.16
    isobutyl acetate 37.94
    tetrachloromethane 28.0
    n-pentyl acetate 35.79
    transcutol 171.47
    n-heptanol 27.73
    ethylbenzene 19.9
    MIBK 49.71
    2-propoxyethanol 84.65
    tert-butanol 56.07
    MTBE 41.03
    2-butoxyethanol 65.45
    propionic acid 62.53
    o-xylene 23.55
    formic acid 78.32
    diethyl ether 55.99
    m-xylene 21.54
    p-xylene 25.44
    chlorobenzene 62.98
    dimethyl carbonate 56.64
    n-octane 1.81
    formamide 134.73
    cyclopentanone 126.41
    2-pentanone 67.14
    anisole 45.15
    cyclopentyl methyl ether 52.79
    gamma-butyrolactone 137.08
    1-methoxy-2-propanol 83.08
    pyridine 89.87
    3-pentanone 62.62
    furfural 132.41
    n-dodecane 1.61
    diethylene glycol 80.36
    diisopropyl ether 14.26
    tert-amyl alcohol 44.86
    acetylacetone 112.53
    n-hexadecane 1.83
    acetophenone 58.64
    methyl propionate 73.88
    isopentyl acetate 43.55
    trichloroethylene 378.9
    n-nonanol 18.4
    cyclohexanol 42.23
    benzyl alcohol 50.6
    2-ethylhexanol 21.48
    isooctanol 24.78
    dipropyl ether 23.61
    1,2-dichlorobenzene 65.95
    ethyl lactate 35.82
    propylene carbonate 77.87
    n-methylformamide 76.61
    2-pentanol 26.09
    n-pentane 1.72
    1-propoxy-2-propanol 47.57
    1-methoxy-2-propyl acetate 59.01
    2-(2-methoxypropoxy) propanol 50.21
    mesitylene 13.99
    ε-caprolactone 86.9
    p-cymene 14.58
    epichlorohydrin 210.59
    1,1,1-trichloroethane 127.51
    2-aminoethanol 40.02
    morpholine-4-carbaldehyde 113.25
    sulfolane 154.38
    2,2,4-trimethylpentane 2.4
    2-methyltetrahydrofuran 65.34
    n-hexyl acetate 38.39
    isooctane 1.6
    2-(2-butoxyethoxy)ethanol 65.08
    sec-butyl acetate 35.21
    tert-butyl acetate 56.68
    decalin 3.55
    glycerin 44.77
    diglyme 144.6
    acrylic acid 70.55
    isopropyl myristate 16.27
    n-butyric acid 82.94
    acetyl acetate 75.56
    di(2-ethylhexyl) phthalate 23.31
    ethyl propionate 45.98
    nitromethane 247.04
    1,2-diethoxyethane 59.61
    benzonitrile 44.59
    trioctyl phosphate 15.63
    1-bromopropane 60.11
    gamma-valerolactone 161.48
    n-decanol 13.97
    triethyl phosphate 28.33
    4-methyl-2-pentanol 20.3
    propionitrile 47.32
    vinylene carbonate 86.21
    1,1,2-trichlorotrifluoroethane 159.24
    DMS 53.47
    cumene 15.76
    2-octanol 16.39
    2-hexanone 51.85
    octyl acetate 21.31
    limonene 17.67
    1,2-dimethoxyethane 145.52
    ethyl orthosilicate 26.94
    tributyl phosphate 18.51
    diacetone alcohol 68.41
    N,N-dimethylaniline 33.79
    acrylonitrile 68.64
    aniline 43.76
    1,3-propanediol 65.09
    bromobenzene 59.27
    dibromomethane 196.37
    1,1,2,2-tetrachloroethane 273.08
    2-methyl-cyclohexyl acetate 39.65
    tetrabutyl urea 26.41
    diisobutyl methanol 14.92
    2-phenylethanol 46.1
    styrene 22.53
    dioctyl adipate 29.19
    dimethyl sulfate 87.71
    ethyl butyrate 36.72
    methyl lactate 45.95
    butyl lactate 32.68
    diethyl carbonate 30.96
    propanediol butyl ether 39.06
    triethyl orthoformate 31.49
    p-tert-butyltoluene 13.04
    methyl 4-tert-butylbenzoate 54.32
    morpholine 133.94
    tert-butylamine 26.28
    n-dodecanol 10.72
    dimethoxymethane 131.1
    ethylene carbonate 71.13
    cyrene 69.85
    2-ethoxyethyl acetate 61.81
    2-ethylhexyl acetate 32.94
    1,2,4-trichlorobenzene 74.78
    4-methylpyridine 63.19
    dibutyl ether 19.03
    2,6-dimethyl-4-heptanol 14.92
    DEF 73.13
    dimethyl isosorbide 87.49
    tetrachloroethylene 180.6
    eugenol 56.45
    triacetin 53.26
    span 80 36.77
    1,4-butanediol 35.21
    1,1-dichloroethane 139.96
    2-methyl-1-pentanol 37.84
    methyl formate 83.56
    2-methyl-1-butanol 36.62
    n-decane 2.71
    butyronitrile 42.77
    3,7-dimethyl-1-octanol 17.72
    1-chlorooctane 12.47
    1-chlorotetradecane 5.46
    n-nonane 2.27
    undecane 2.02
    tert-butylcyclohexane 3.15
    cyclooctane 1.61
    cyclopentanol 35.27
    tetrahydropyran 88.98
    tert-amyl methyl ether 33.71
    2,5,8-trioxanonane 96.64
    1-hexene 10.38
    2-isopropoxyethanol 74.55
    2,2,2-trifluoroethanol 85.08
    methyl butyrate 59.47

    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