Pyrimethanil

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  • Identifiers

    CAS number
    53112-28-0

    Molecular formula
    C12H13N3

    SMILES
    CC1=CC(=NC(=N1)NC2=CC=CC=C2)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 44.75%
    Roasted 33.39%
    Burnt 33.2%
    Fruity 32.36%
    Floral 30.19%
    Meaty 29.43%
    Nutty 28.06%
    Musty 27.31%
    Sweet 26.19%
    Earthy 25.25%

     

    Flavor
    Bitter 43.95%
    Roasted 32.56%
    Cocoa 27.27%
    Coffee 26.87%
    Mild 26.1%
    Meaty 23.44%
    Nutty 23.41%
    Musty 22.7%
    Scallion 21.59%
    Very strong 21.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.62 (neutral)

    Molecular weight
    199.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    390°C

    Melting point expt.

    • 96.3 °C
    • 88 - 89 °C

    Flash point

    • 164.63 ˚C est.

    Solubility expt.

    • In acetone, 389 g/l @ 20 °C; ethyl acetate, 617 g/l @ 20 °C; methanol, 176 g/l @ 20 °C; methylene chloride, 1000 g/l @ 20 °C; n-hexane, 23.7 g/l @ 20 °C; toluene, 412 g/l @ 20 °C.
    • In water, 0.121 g/l @ 25 °C.
    • 121 mg/L @ 25 °C (exp)

  • Synonyms

    • Pyrimethanil
    • 53112-28-0
    • 4,6-dimethyl-N-phenyl-2-pyrimidinamine
    • 4,6-dimethyl-N-phenylpyrimidin-2-amine
    • Scala
    • 2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-
    • DTXSID8034877
    • 6IA5HP6C8Z
    • N-(4,6-dimethylpyrimidin-2-yl)aniline
    • SN 100309
    • CHEBI:8674
    • DTXCID6014877
    • RefChem:177750
    • 610-963-4
    • Pyrimethanil [ISO]
    • 2-Anilino-4,6-dimethylpyrimidine
    • MFCD00172113
    • 4,6-dimethyl-N-phenyl-pyrimidin-2-amine
    • Pyrimethanil 100 microg/mL in Methanol
    • Pyrimethanil 10 microg/mL in Cyclohexane
    • 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine
    • Mythos
    • HSDB 6916
    • UNII-6IA5HP6C8Z
    • Pyrimethanil, BSI
    • MUK
    • Pyrimethanil (Standard)
    • Peakdale1_000145
    • PYRIMETHANIL [MI]
    • PYRIMETHANIL [HSDB]
    • SCHEMBL20817
    • CHEMBL540677
    • orb1303867
    • SCHEMBL5842364
    • HMS518G13
    • HY-B2033R
    • HY-B2033
    • MSK21161
    • Tox21_300808
    • EBC-13441
    • STK693289
    • AKOS005604858
    • DS-0891
    • (4,6-dimethylpyrimidin-2-yl)phenylamine
    • NCGC00164307-01
    • NCGC00164307-02
    • NCGC00164307-03
    • NCGC00254712-01
    • Pyrimethanil 1000 microg/mL in Toluene
    • AC-12527
    • FD140200
    • CAS-53112-28-0
    • DB-052261
    • SN-100309
    • ST4143279
    • ZK 100309
    • CS-0014128
    • NS00000363
    • EN300-651703
    • O11144
    • Pyrimethanil, PESTANAL(R), analytical standard
    • 112P280
    • 12B-067
    • Q7263600
    • Z285675722
    • 53112-28-0

  • Applications

    Pyrimethanil (CAS 53112-28-0) is used as a protective fungicide in agriculture to control Botrytis cinerea and other fungal diseases on key crop groups, including grapes, apples and pears, strawberries, and tomatoes, typically applied as a foliar spray or preharvest treatment. It is also used for post-harvest protection to reduce Botrytis infections on stored fruit and vegetables. In floriculture and greenhouse production, pyrimethanil is deployed to protect ornamentals from fungal pathogens. It remains a component of integrated crop protection programs as a fungicide option for managing diseases on these crop groups.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.63
    methanol 121.56
    isopropanol 59.76
    water 1.2
    ethyl acetate 102.27
    n-propanol 90.13
    acetone 130.75
    n-butanol 90.21
    acetonitrile 60.83
    DMF 387.74
    toluene 40.46
    isobutanol 65.38
    1,4-dioxane 216.57
    methyl acetate 95.58
    THF 416.82
    2-butanone 103.12
    n-pentanol 58.18
    sec-butanol 64.12
    n-hexane 8.12
    ethylene glycol 44.61
    NMP 333.03
    cyclohexane 24.11
    DMSO 359.95
    n-butyl acetate 68.86
    n-octanol 31.43
    chloroform 171.46
    n-propyl acetate 45.69
    acetic acid 201.45
    dichloromethane 131.19
    cyclohexanone 197.33
    propylene glycol 65.01
    isopropyl acetate 50.85
    DMAc 332.33
    2-ethoxyethanol 81.82
    isopentanol 62.37
    n-heptane 7.14
    ethyl formate 69.95
    1,2-dichloroethane 91.25
    n-hexanol 67.92
    2-methoxyethanol 206.9
    isobutyl acetate 36.05
    tetrachloromethane 15.95
    n-pentyl acetate 41.16
    transcutol 234.0
    n-heptanol 31.62
    ethylbenzene 12.37
    MIBK 47.2
    2-propoxyethanol 135.32
    tert-butanol 56.01
    MTBE 49.39
    2-butoxyethanol 65.32
    propionic acid 116.6
    o-xylene 20.92
    formic acid 88.56
    diethyl ether 81.33
    m-xylene 22.9
    p-xylene 20.95
    chlorobenzene 59.08
    dimethyl carbonate 75.09
    n-octane 2.58
    formamide 112.42
    cyclopentanone 264.59
    2-pentanone 83.83
    anisole 43.59
    cyclopentyl methyl ether 144.74
    gamma-butyrolactone 292.4
    1-methoxy-2-propanol 135.11
    pyridine 156.01
    3-pentanone 81.84
    furfural 193.39
    n-dodecane 3.06
    diethylene glycol 111.12
    diisopropyl ether 18.44
    tert-amyl alcohol 52.25
    acetylacetone 105.38
    n-hexadecane 3.52
    acetophenone 45.39
    methyl propionate 108.98
    isopentyl acetate 60.88
    trichloroethylene 179.64
    n-nonanol 31.37
    cyclohexanol 94.98
    benzyl alcohol 46.54
    2-ethylhexanol 38.69
    isooctanol 24.9
    dipropyl ether 48.61
    1,2-dichlorobenzene 46.01
    ethyl lactate 37.1
    propylene carbonate 145.28
    n-methylformamide 134.85
    2-pentanol 46.62
    n-pentane 7.84
    1-propoxy-2-propanol 85.35
    1-methoxy-2-propyl acetate 79.34
    2-(2-methoxypropoxy) propanol 74.1
    mesitylene 13.29
    ε-caprolactone 141.5
    p-cymene 13.98
    epichlorohydrin 228.19
    1,1,1-trichloroethane 64.63
    2-aminoethanol 83.4
    morpholine-4-carbaldehyde 239.99
    sulfolane 295.0
    2,2,4-trimethylpentane 4.7
    2-methyltetrahydrofuran 201.84
    n-hexyl acetate 60.33
    isooctane 2.66
    2-(2-butoxyethoxy)ethanol 99.12
    sec-butyl acetate 32.72
    tert-butyl acetate 48.85
    decalin 5.86
    glycerin 107.93
    diglyme 152.36
    acrylic acid 112.3
    isopropyl myristate 27.01
    n-butyric acid 137.58
    acetyl acetate 67.4
    di(2-ethylhexyl) phthalate 37.21
    ethyl propionate 47.44
    nitromethane 232.65
    1,2-diethoxyethane 64.68
    benzonitrile 54.16
    trioctyl phosphate 25.49
    1-bromopropane 52.51
    gamma-valerolactone 270.61
    n-decanol 25.03
    triethyl phosphate 34.08
    4-methyl-2-pentanol 26.65
    propionitrile 57.45
    vinylene carbonate 119.38
    1,1,2-trichlorotrifluoroethane 183.31
    DMS 68.11
    cumene 10.98
    2-octanol 20.38
    2-hexanone 51.19
    octyl acetate 39.22
    limonene 22.85
    1,2-dimethoxyethane 136.62
    ethyl orthosilicate 32.51
    tributyl phosphate 31.25
    diacetone alcohol 68.99
    N,N-dimethylaniline 31.84
    acrylonitrile 66.43
    aniline 75.65
    1,3-propanediol 103.18
    bromobenzene 50.85
    dibromomethane 84.75
    1,1,2,2-tetrachloroethane 159.84
    2-methyl-cyclohexyl acetate 45.85
    tetrabutyl urea 41.69
    diisobutyl methanol 19.22
    2-phenylethanol 53.85
    styrene 17.59
    dioctyl adipate 42.6
    dimethyl sulfate 119.5
    ethyl butyrate 46.05
    methyl lactate 71.95
    butyl lactate 41.84
    diethyl carbonate 39.75
    propanediol butyl ether 63.48
    triethyl orthoformate 42.79
    p-tert-butyltoluene 14.39
    methyl 4-tert-butylbenzoate 52.96
    morpholine 255.33
    tert-butylamine 32.58
    n-dodecanol 20.21
    dimethoxymethane 205.74
    ethylene carbonate 105.84
    cyrene 72.43
    2-ethoxyethyl acetate 60.16
    2-ethylhexyl acetate 50.23
    1,2,4-trichlorobenzene 62.6
    4-methylpyridine 114.25
    dibutyl ether 35.85
    2,6-dimethyl-4-heptanol 19.22
    DEF 120.54
    dimethyl isosorbide 114.19
    tetrachloroethylene 91.26
    eugenol 58.36
    triacetin 57.43
    span 80 69.36
    1,4-butanediol 38.87
    1,1-dichloroethane 71.25
    2-methyl-1-pentanol 49.4
    methyl formate 102.18
    2-methyl-1-butanol 67.96
    n-decane 4.58
    butyronitrile 62.5
    3,7-dimethyl-1-octanol 29.57
    1-chlorooctane 19.04
    1-chlorotetradecane 9.49
    n-nonane 4.09
    undecane 3.66
    tert-butylcyclohexane 5.01
    cyclooctane 5.48
    cyclopentanol 119.76
    tetrahydropyran 216.42
    tert-amyl methyl ether 47.81
    2,5,8-trioxanonane 125.77
    1-hexene 24.78
    2-isopropoxyethanol 54.24
    2,2,2-trifluoroethanol 66.32
    methyl butyrate 61.18

    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