Benalaxyl-M

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  • Identifiers

    CAS number
    98243-83-5

    Molecular formula
    C20H23NO3

    SMILES
    CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)CC2=CC=CC=C2

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 49.58%
    Fruity 43.36%
    Grape 41.79%
    Citrus 29.9%
    Powdery 29.39%
    Neroli 29.27%
    Honey 29.01%
    Sweet 28.73%
    Dry 27.63%
    Fatty 26.73%

     

    Flavor
    Bitter 58.98%
    Fruity 33.2%
    Odorless 32.85%
    Mild 23.01%
    Bland 22.96%
    Heather 19.82%
    Broom 19.62%
    Orange flower 19.29%
    Genet 19.24%
    Sweet-like 18.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    5.86 (weak acid)

    Molecular weight
    325.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    407°C

    Flash point

    • 196.16 ˚C est.

  • Synonyms

    • Benalaxyl-M
    • 98243-83-5
    • Kiralaxyl
    • D-Benalaxyl
    • (-)-R-Benalaxyl
    • Benalaxyl-M [ISO]
    • UNII-K2I4VH4B65
    • IR 6141
    • K2I4VH4B65
    • (-)-BENALAXYL
    • BENALAXYL, (-)-
    • DTXSID0058229
    • CHEBI:82779
    • IR-6141
    • methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate
    • D-Alanine, N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-, methyl ester
    • N-(2,6-DIMETHYLPHENYL)-N-(2-PHENYLACETYL)-D-ALANINE METHYL ESTER
    • RefChem:116942
    • DTXCID3031997
    • 619-330-7
    • (R)-Methyl 2-(N-(2,6-dimethylphenyl)-2-phenylacetamido)propanoate
    • (R)-Benalaxyl
    • N-(2,6-Dimethylphenyl)-N-(phenylacetyl)-D-alanine methyl ester
    • MFCD11616749
    • methyl (2R)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
    • methyl (2R)-2-[N-(2,6-dimethylphenyl)-2-phenylacetamido]propanoate
    • Benalaxyl-M 100 microg/mL in Acetonitrile
    • SCHEMBL41642
    • MSK21249
    • AS-80991
    • SY261488
    • NS00120704
    • A50837
    • Benalaxyl-M, PESTANAL(R), analytical standard
    • methyl N-(phenylacetyl)-N-(2,6-xylyl)-D-alaninate
    • Q27156350
    • Methyl (R)-2-[N-(2,6-Dimethylphenyl)-2-phenylacetamido]propanoate
    • 98243-83-5

  • Applications

    Benalaxyl-M (CAS 98243-83-5) is a systemic fungicide used in crop protection to manage oomycete and fungal diseases in vegetables, fruits, and ornamentals. It is typically formulated for seed treatment or coating, soil drench and root-zone applications, and protective foliar sprays in greenhouse and field crops, providing systemic protection after uptake. It is commonly employed in integrated pest management programs and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 71.38
    methanol 119.06
    isopropanol 44.23
    water 0.36
    ethyl acetate 196.98
    n-propanol 65.18
    acetone 257.88
    n-butanol 56.94
    acetonitrile 169.55
    DMF 578.92
    toluene 80.23
    isobutanol 45.9
    1,4-dioxane 234.47
    methyl acetate 212.06
    THF 340.66
    2-butanone 208.25
    n-pentanol 43.89
    sec-butanol 48.49
    n-hexane 2.41
    ethylene glycol 16.92
    NMP 440.89
    cyclohexane 3.52
    DMSO 235.56
    n-butyl acetate 96.6
    n-octanol 12.23
    chloroform 757.86
    n-propyl acetate 92.48
    acetic acid 177.25
    dichloromethane 868.05
    cyclohexanone 271.09
    propylene glycol 17.69
    isopropyl acetate 109.91
    DMAc 727.04
    2-ethoxyethanol 110.19
    isopentanol 54.8
    n-heptane 1.19
    ethyl formate 101.46
    1,2-dichloroethane 604.32
    n-hexanol 38.58
    2-methoxyethanol 184.49
    isobutyl acetate 62.71
    tetrachloromethane 46.97
    n-pentyl acetate 50.32
    transcutol 203.31
    n-heptanol 20.0
    ethylbenzene 41.06
    MIBK 89.83
    2-propoxyethanol 122.32
    tert-butanol 56.56
    MTBE 79.63
    2-butoxyethanol 64.15
    propionic acid 88.67
    o-xylene 49.19
    formic acid 79.05
    diethyl ether 107.97
    m-xylene 42.55
    p-xylene 51.16
    chlorobenzene 171.85
    dimethyl carbonate 165.02
    n-octane 0.83
    formamide 176.95
    cyclopentanone 377.13
    2-pentanone 150.87
    anisole 119.63
    cyclopentyl methyl ether 126.83
    gamma-butyrolactone 427.61
    1-methoxy-2-propanol 121.91
    pyridine 260.12
    3-pentanone 158.02
    furfural 323.59
    n-dodecane 0.81
    diethylene glycol 96.1
    diisopropyl ether 21.02
    tert-amyl alcohol 58.39
    acetylacetone 248.25
    n-hexadecane 0.97
    acetophenone 126.35
    methyl propionate 197.02
    isopentyl acetate 92.46
    trichloroethylene 984.44
    n-nonanol 13.74
    cyclohexanol 54.43
    benzyl alcohol 84.8
    2-ethylhexanol 24.75
    isooctanol 18.59
    dipropyl ether 33.73
    1,2-dichlorobenzene 172.69
    ethyl lactate 48.44
    propylene carbonate 202.81
    n-methylformamide 206.04
    2-pentanol 35.37
    n-pentane 1.69
    1-propoxy-2-propanol 66.79
    1-methoxy-2-propyl acetate 136.78
    2-(2-methoxypropoxy) propanol 65.63
    mesitylene 21.03
    ε-caprolactone 212.1
    p-cymene 20.3
    epichlorohydrin 628.92
    1,1,1-trichloroethane 296.97
    2-aminoethanol 38.42
    morpholine-4-carbaldehyde 363.44
    sulfolane 413.95
    2,2,4-trimethylpentane 2.52
    2-methyltetrahydrofuran 190.31
    n-hexyl acetate 54.39
    isooctane 1.29
    2-(2-butoxyethoxy)ethanol 77.47
    sec-butyl acetate 72.18
    tert-butyl acetate 108.23
    decalin 4.38
    glycerin 41.4
    diglyme 203.96
    acrylic acid 103.93
    isopropyl myristate 21.02
    n-butyric acid 125.32
    acetyl acetate 158.18
    di(2-ethylhexyl) phthalate 34.75
    ethyl propionate 104.08
    nitromethane 462.82
    1,2-diethoxyethane 84.72
    benzonitrile 100.86
    trioctyl phosphate 18.44
    1-bromopropane 148.12
    gamma-valerolactone 441.52
    n-decanol 10.12
    triethyl phosphate 47.66
    4-methyl-2-pentanol 24.61
    propionitrile 114.44
    vinylene carbonate 210.2
    1,1,2-trichlorotrifluoroethane 303.77
    DMS 114.75
    cumene 25.03
    2-octanol 11.88
    2-hexanone 83.35
    octyl acetate 28.63
    limonene 26.18
    1,2-dimethoxyethane 209.79
    ethyl orthosilicate 42.88
    tributyl phosphate 25.07
    diacetone alcohol 109.1
    N,N-dimethylaniline 71.06
    acrylonitrile 178.25
    aniline 112.14
    1,3-propanediol 66.32
    bromobenzene 172.92
    dibromomethane 414.13
    1,1,2,2-tetrachloroethane 685.61
    2-methyl-cyclohexyl acetate 63.3
    tetrabutyl urea 37.16
    diisobutyl methanol 16.07
    2-phenylethanol 78.92
    styrene 56.89
    dioctyl adipate 42.03
    dimethyl sulfate 255.7
    ethyl butyrate 75.63
    methyl lactate 83.13
    butyl lactate 40.27
    diethyl carbonate 61.99
    propanediol butyl ether 34.78
    triethyl orthoformate 51.93
    p-tert-butyltoluene 18.46
    methyl 4-tert-butylbenzoate 87.0
    morpholine 250.7
    tert-butylamine 28.44
    n-dodecanol 7.65
    dimethoxymethane 314.62
    ethylene carbonate 172.0
    cyrene 101.93
    2-ethoxyethyl acetate 98.78
    2-ethylhexyl acetate 69.4
    1,2,4-trichlorobenzene 197.88
    4-methylpyridine 233.74
    dibutyl ether 21.37
    2,6-dimethyl-4-heptanol 16.07
    DEF 250.57
    dimethyl isosorbide 158.32
    tetrachloroethylene 391.19
    eugenol 83.38
    triacetin 79.41
    span 80 43.15
    1,4-butanediol 27.97
    1,1-dichloroethane 362.21
    2-methyl-1-pentanol 48.6
    methyl formate 181.87
    2-methyl-1-butanol 56.1
    n-decane 1.3
    butyronitrile 88.08
    3,7-dimethyl-1-octanol 16.63
    1-chlorooctane 10.28
    1-chlorotetradecane 4.36
    n-nonane 1.06
    undecane 0.99
    tert-butylcyclohexane 3.53
    cyclooctane 1.06
    cyclopentanol 63.98
    tetrahydropyran 153.34
    tert-amyl methyl ether 66.78
    2,5,8-trioxanonane 128.97
    1-hexene 17.52
    2-isopropoxyethanol 75.73
    2,2,2-trifluoroethanol 109.02
    methyl butyrate 129.99

    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