Valifenalate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    283159-90-0

    Molecular formula
    C19H27ClN2O5

    SMILES
    CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 55.47%
    Cooling 34.86%
    Savory 31.6%
    Grape 29.87%
    Mint 24.02%
    Milky 23.09%
    Fruity 22.25%
    Grapefruit 20.51%
    Meaty 20.28%
    Roasted 19.56%

     

    Flavor
    Bitter 61.27%
    Odorless 43.62%
    Bland 29.65%
    Fruity 27.0%
    Mild 26.66%
    Sweet-like 20.07%
    Nitrile 18.49%
    Heather 18.47%
    Orange flower 18.45%
    Broom 18.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.0 (neutral)

    Molecular weight
    398.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    517°C

    Flash point

    • 208.23 ˚C est.

  • Synonyms

    • Valifenalate
    • 283159-90-0
    • Valiphenal
    • Valifenalate [ISO]
    • S4BR27QQ5S
    • IR 5885
    • DTXSID6058051
    • CHEBI:83610
    • methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate
    • methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate
    • methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate
    • methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate
    • beta-Alanine, N-((1-methylethoxy)carbonyl)-L-valyl-3-(4-chlorophenyl)-, methyl ester
    • METHYL (3RS)-3-(4-CHLOROPHENYL)-N-(N-(ISOPROPOXYCARBONYL)-L-VALYL)-.BETA.-ALANINATE
    • Methyl (3RS)-3-(4-chlorophenyl)-N-(N-(isopropoxycarbonyl)-L-valyl)-beta-alaninate
    • METHYL 3-(4-CHLOROPHENYL)-N-(((1-METHYLETHOXY)CARBONYL)-L-VALYL)-.BETA.-ALANINATE
    • Methyl 3-(4-chlorophenyl)-N-(((1-methylethoxy)carbonyl)-L-valyl)-beta-alaninate
    • .BETA.-ALANINE, N-((1-METHYLETHOXY)CARBONYL)-L-VALYL-3-(4-CHLOROPHENYL)-, METHYL ESTER
    • beta-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester
    • methyl 3-(4-chlorophenyl)-3-((N-(isopropoxycarbonyl)-L-valyl)amino)propanoate
    • methyl N-((1-methylethoxy)carbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate
    • N-((1-methylethoxy)carbonyl)-L-valyl-3-(4-chlorophenyl)-b-Alanine, methyl ester
    • N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-b-Alanine, methyl ester
    • RefChem:193580
    • DTXCID8031819
    • 608-192-3
    • methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
    • IR5885;Valiphenal
    • C19H27ClN2O5
    • MFCD22373630
    • Valifenalate isomer 1
    • Valifenalate isomer 2
    • Valifenalate (Standard)
    • UNII-S4BR27QQ5S
    • orb1299835
    • SCHEMBL1138368
    • EX-A3342
    • MSK21346
    • HY-17518R
    • CS-3304
    • FV28794
    • AS-77009
    • DA-78818
    • HY-17518
    • NS00098472
    • D94923
    • Valifenalate, PESTANAL(R), analytical standard
    • Q19310729
    • Methyl 3-(4-chlorophenyl)-3-[(N-{[(propan-2-yl)oxy]carbonyl}-L-valyl)amino]propanoate
    • Benzenepropanoic acid, 4-chloro-.beta.-[[(2S)-3-methyl-2-[[(1-methylethoxy)carbonyl]amino]-1-oxobutyl]amino]-, methyl ester
    • methyl 3-(4-chlorophenyl)-3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propanoate
    • 283159-90-0

  • Applications

    Valifenalate (CAS 283159-90-0) is used as a fungicide active ingredient in crop protection formulations to guard crops against fungal and oomycete diseases. It is applied across a broad range of crops including vegetables, fruits, and vineyards, in greenhouse and field settings, with preventive and curative applications according to local registrations. It is commonly formulated as emulsifiable concentrates, wettable powders, or suspension concentrates, and is typically employed within integrated pest management programs under label instructions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.47
    methanol 119.07
    isopropanol 67.9
    water 0.16
    ethyl acetate 32.41
    n-propanol 83.64
    acetone 141.18
    n-butanol 61.7
    acetonitrile 22.42
    DMF 384.09
    toluene 10.01
    isobutanol 48.7
    1,4-dioxane 97.43
    methyl acetate 45.91
    THF 278.58
    2-butanone 97.25
    n-pentanol 55.67
    sec-butanol 67.43
    n-hexane 0.74
    ethylene glycol 11.02
    NMP 392.34
    cyclohexane 0.66
    DMSO 282.35
    n-butyl acetate 22.04
    n-octanol 10.16
    chloroform 166.02
    n-propyl acetate 24.43
    acetic acid 215.31
    dichloromethane 133.19
    cyclohexanone 155.52
    propylene glycol 37.84
    isopropyl acetate 21.18
    DMAc 683.97
    2-ethoxyethanol 137.72
    isopentanol 41.31
    n-heptane 0.25
    ethyl formate 33.38
    1,2-dichloroethane 79.27
    n-hexanol 21.99
    2-methoxyethanol 182.41
    isobutyl acetate 15.2
    tetrachloromethane 9.26
    n-pentyl acetate 19.71
    transcutol 190.9
    n-heptanol 14.62
    ethylbenzene 6.72
    MIBK 27.97
    2-propoxyethanol 96.75
    tert-butanol 52.47
    MTBE 25.49
    2-butoxyethanol 61.19
    propionic acid 66.26
    o-xylene 7.74
    formic acid 92.18
    diethyl ether 21.37
    m-xylene 5.81
    p-xylene 11.01
    chlorobenzene 23.81
    dimethyl carbonate 33.03
    n-octane 0.2
    formamide 112.78
    cyclopentanone 197.68
    2-pentanone 59.1
    anisole 27.24
    cyclopentyl methyl ether 45.58
    gamma-butyrolactone 177.75
    1-methoxy-2-propanol 131.88
    pyridine 85.9
    3-pentanone 43.19
    furfural 145.42
    n-dodecane 0.19
    diethylene glycol 66.76
    diisopropyl ether 3.0
    tert-amyl alcohol 58.81
    acetylacetone 70.16
    n-hexadecane 0.22
    acetophenone 42.51
    methyl propionate 44.74
    isopentyl acetate 23.53
    trichloroethylene 182.63
    n-nonanol 10.69
    cyclohexanol 45.41
    benzyl alcohol 50.11
    2-ethylhexanol 9.54
    isooctanol 10.92
    dipropyl ether 8.11
    1,2-dichlorobenzene 23.85
    ethyl lactate 26.56
    propylene carbonate 72.49
    n-methylformamide 110.73
    2-pentanol 27.73
    n-pentane 0.44
    1-propoxy-2-propanol 50.53
    1-methoxy-2-propyl acetate 39.35
    2-(2-methoxypropoxy) propanol 59.26
    mesitylene 2.88
    ε-caprolactone 117.75
    p-cymene 3.52
    epichlorohydrin 214.59
    1,1,1-trichloroethane 46.56
    2-aminoethanol 44.17
    morpholine-4-carbaldehyde 271.42
    sulfolane 260.07
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 118.68
    n-hexyl acetate 25.64
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 76.03
    sec-butyl acetate 15.92
    tert-butyl acetate 24.64
    decalin 0.73
    glycerin 57.74
    diglyme 138.87
    acrylic acid 69.55
    isopropyl myristate 7.54
    n-butyric acid 76.24
    acetyl acetate 24.08
    di(2-ethylhexyl) phthalate 17.9
    ethyl propionate 21.63
    nitromethane 196.66
    1,2-diethoxyethane 33.06
    benzonitrile 28.79
    trioctyl phosphate 10.01
    1-bromopropane 29.79
    gamma-valerolactone 286.49
    n-decanol 7.02
    triethyl phosphate 15.96
    4-methyl-2-pentanol 11.29
    propionitrile 22.07
    vinylene carbonate 59.46
    1,1,2-trichlorotrifluoroethane 207.84
    DMS 27.02
    cumene 4.92
    2-octanol 7.7
    2-hexanone 42.12
    octyl acetate 12.7
    limonene 4.7
    1,2-dimethoxyethane 147.56
    ethyl orthosilicate 14.83
    tributyl phosphate 12.79
    diacetone alcohol 59.0
    N,N-dimethylaniline 24.21
    acrylonitrile 31.17
    aniline 37.41
    1,3-propanediol 74.4
    bromobenzene 18.35
    dibromomethane 71.66
    1,1,2,2-tetrachloroethane 169.23
    2-methyl-cyclohexyl acetate 22.7
    tetrabutyl urea 20.59
    diisobutyl methanol 4.63
    2-phenylethanol 33.11
    styrene 9.07
    dioctyl adipate 19.41
    dimethyl sulfate 78.26
    ethyl butyrate 17.38
    methyl lactate 50.08
    butyl lactate 28.91
    diethyl carbonate 13.58
    propanediol butyl ether 56.39
    triethyl orthoformate 17.82
    p-tert-butyltoluene 3.25
    methyl 4-tert-butylbenzoate 38.59
    morpholine 182.86
    tert-butylamine 15.03
    n-dodecanol 4.4
    dimethoxymethane 130.5
    ethylene carbonate 46.25
    cyrene 85.6
    2-ethoxyethyl acetate 40.3
    2-ethylhexyl acetate 17.48
    1,2,4-trichlorobenzene 36.73
    4-methylpyridine 83.35
    dibutyl ether 8.13
    2,6-dimethyl-4-heptanol 4.63
    DEF 98.72
    dimethyl isosorbide 88.14
    tetrachloroethylene 82.81
    eugenol 43.08
    triacetin 37.86
    span 80 45.9
    1,4-butanediol 38.18
    1,1-dichloroethane 62.31
    2-methyl-1-pentanol 44.52
    methyl formate 73.62
    2-methyl-1-butanol 51.18
    n-decane 0.36
    butyronitrile 25.13
    3,7-dimethyl-1-octanol 9.65
    1-chlorooctane 3.26
    1-chlorotetradecane 1.16
    n-nonane 0.3
    undecane 0.25
    tert-butylcyclohexane 0.63
    cyclooctane 0.18
    cyclopentanol 71.68
    tetrahydropyran 69.64
    tert-amyl methyl ether 25.01
    2,5,8-trioxanonane 88.29
    1-hexene 5.67
    2-isopropoxyethanol 76.76
    2,2,2-trifluoroethanol 66.15
    methyl butyrate 35.41

    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