Mepanipyrim

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  • Identifiers

    CAS number
    110235-47-7

    Molecular formula
    C14H13N3

    SMILES
    CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Animal 36.48%
    Roasted 31.67%
    Fruity 30.21%
    Sweet 29.95%
    Floral 29.79%
    Burnt 28.24%
    Meaty 26.41%
    Nutty 23.87%
    Musty 22.05%
    Earthy 21.68%

     

    Flavor
    Bitter 68.12%
    Roasted 24.76%
    Odorless 23.99%
    Nitrile 20.84%
    Mild 20.61%
    Scallion 19.8%
    Very strong 19.57%
    Bread crust 19.13%
    Indole 19.08%
    Taco 18.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    5.31 (weak acid)

    Molecular weight
    223.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    438°C

    Flash point

    • 191.36 ˚C est.

  • Synonyms

    • Mepanipyrim
    • 110235-47-7
    • 4-Methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine
    • DTXSID4042121
    • B150X76OJY
    • N-(4-methyl-6-prop-1-ynylpyrimidin-2-yl)aniline
    • 4-methyl-N-phenyl-6-prop-1-ynyl-pyrimidin-2-amine
    • CHEBI:6751
    • DTXCID2022121
    • KIF-3535
    • KUF-6201
    • RefChem:156502
    • 600-951-7
    • Mepanipyrim [ISO]
    • 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine
    • 4-methyl-N-phenyl-6-(prop-1-yn-1-yl)pyrimidin-2-amine
    • 2-Pyrimidinamine, 4-methyl-N-phenyl-6-(1-propynyl)-
    • 2-Anilino-4-methyl-6-(1-propynyl)pyrimidine
    • Mepanipyrim 10 microg/mL in Cyclohexane
    • FRUPICA
    • 4-methyl-N-phenyl-6-(prop-1-ynyl)pyrimidin-2-amine
    • UNII-B150X76OJY
    • N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline (IUPAC)
    • MEPANIPYRIM [MI]
    • SCHEMBL22040
    • CHEMBL2269513
    • SCHEMBL29672635
    • MSK21155
    • Tox21_300635
    • MFCD01656050
    • AKOS015916777
    • NCGC00248117-01
    • NCGC00254251-01
    • DB-012211
    • 2-anilino-4-methyl-6(1-propynyl)pyrimidine
    • CAS-110235-47-7
    • NS00000496
    • 2-anilino-4-methyl-6-(1-propynyl)-pyrimidine
    • Mepanipyrim, PESTANAL(R), analytical standard
    • 235M477
    • Q15632906
    • 110235-47-7

  • Applications

    Mepanipyrim (CAS 110235-47-7) is an active fungicidal ingredient used in crop protection products for agriculture to control fungal diseases on a range of crops; it is formulated in products such as wettable powders, emulsifiable concentrates, or granules and applied in both greenhouse and field settings; commonly employed on fruits, vegetables, and cereals, and often used in tank-mixed or premix formulations with other fungicides to broaden the spectrum of control; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 106.3
    methanol 137.29
    isopropanol 49.84
    water 0.39
    ethyl acetate 117.87
    n-propanol 80.91
    acetone 199.61
    n-butanol 71.77
    acetonitrile 78.08
    DMF 664.87
    toluene 35.67
    isobutanol 52.4
    1,4-dioxane 215.65
    methyl acetate 106.71
    THF 431.33
    2-butanone 121.57
    n-pentanol 53.95
    sec-butanol 46.38
    n-hexane 3.47
    ethylene glycol 55.64
    NMP 354.89
    cyclohexane 11.27
    DMSO 724.72
    n-butyl acetate 67.26
    n-octanol 29.85
    chloroform 250.88
    n-propyl acetate 58.97
    acetic acid 189.95
    dichloromethane 250.75
    cyclohexanone 221.54
    propylene glycol 79.54
    isopropyl acetate 57.64
    DMAc 395.36
    2-ethoxyethanol 95.75
    isopentanol 48.74
    n-heptane 4.59
    ethyl formate 91.72
    1,2-dichloroethane 148.23
    n-hexanol 54.41
    2-methoxyethanol 246.31
    isobutyl acetate 43.98
    tetrachloromethane 16.09
    n-pentyl acetate 43.57
    transcutol 238.23
    n-heptanol 29.15
    ethylbenzene 14.06
    MIBK 50.47
    2-propoxyethanol 126.9
    tert-butanol 43.19
    MTBE 33.86
    2-butoxyethanol 67.54
    propionic acid 111.18
    o-xylene 17.69
    formic acid 92.88
    diethyl ether 66.12
    m-xylene 19.5
    p-xylene 21.83
    chlorobenzene 75.94
    dimethyl carbonate 120.09
    n-octane 2.01
    formamide 133.38
    cyclopentanone 329.34
    2-pentanone 99.84
    anisole 54.77
    cyclopentyl methyl ether 124.04
    gamma-butyrolactone 336.03
    1-methoxy-2-propanol 151.72
    pyridine 191.18
    3-pentanone 85.38
    furfural 263.6
    n-dodecane 2.85
    diethylene glycol 120.1
    diisopropyl ether 14.22
    tert-amyl alcohol 36.71
    acetylacetone 145.03
    n-hexadecane 3.27
    acetophenone 59.83
    methyl propionate 136.91
    isopentyl acetate 57.18
    trichloroethylene 297.35
    n-nonanol 28.94
    cyclohexanol 69.17
    benzyl alcohol 57.66
    2-ethylhexanol 31.82
    isooctanol 22.75
    dipropyl ether 42.17
    1,2-dichlorobenzene 61.48
    ethyl lactate 49.05
    propylene carbonate 170.49
    n-methylformamide 198.97
    2-pentanol 34.94
    n-pentane 3.22
    1-propoxy-2-propanol 80.2
    1-methoxy-2-propyl acetate 81.09
    2-(2-methoxypropoxy) propanol 74.38
    mesitylene 11.64
    ε-caprolactone 151.17
    p-cymene 14.73
    epichlorohydrin 308.61
    1,1,1-trichloroethane 81.22
    2-aminoethanol 91.07
    morpholine-4-carbaldehyde 268.12
    sulfolane 392.69
    2,2,4-trimethylpentane 2.52
    2-methyltetrahydrofuran 173.73
    n-hexyl acetate 63.18
    isooctane 1.7
    2-(2-butoxyethoxy)ethanol 98.0
    sec-butyl acetate 38.74
    tert-butyl acetate 52.65
    decalin 4.34
    glycerin 129.95
    diglyme 170.7
    acrylic acid 121.44
    isopropyl myristate 29.52
    n-butyric acid 129.38
    acetyl acetate 89.46
    di(2-ethylhexyl) phthalate 40.27
    ethyl propionate 56.8
    nitromethane 294.39
    1,2-diethoxyethane 66.14
    benzonitrile 69.09
    trioctyl phosphate 29.04
    1-bromopropane 55.54
    gamma-valerolactone 321.34
    n-decanol 23.81
    triethyl phosphate 36.85
    4-methyl-2-pentanol 21.06
    propionitrile 66.06
    vinylene carbonate 159.92
    1,1,2-trichlorotrifluoroethane 244.67
    DMS 81.13
    cumene 12.13
    2-octanol 18.44
    2-hexanone 61.68
    octyl acetate 41.48
    limonene 21.71
    1,2-dimethoxyethane 158.03
    ethyl orthosilicate 32.78
    tributyl phosphate 34.08
    diacetone alcohol 73.16
    N,N-dimethylaniline 38.67
    acrylonitrile 93.28
    aniline 73.47
    1,3-propanediol 106.75
    bromobenzene 70.88
    dibromomethane 129.56
    1,1,2,2-tetrachloroethane 226.05
    2-methyl-cyclohexyl acetate 50.01
    tetrabutyl urea 47.5
    diisobutyl methanol 18.62
    2-phenylethanol 57.22
    styrene 21.81
    dioctyl adipate 51.15
    dimethyl sulfate 187.74
    ethyl butyrate 52.47
    methyl lactate 102.54
    butyl lactate 47.75
    diethyl carbonate 45.64
    propanediol butyl ether 70.61
    triethyl orthoformate 43.11
    p-tert-butyltoluene 14.24
    methyl 4-tert-butylbenzoate 59.85
    morpholine 233.9
    tert-butylamine 22.7
    n-dodecanol 19.98
    dimethoxymethane 296.96
    ethylene carbonate 132.17
    cyrene 85.53
    2-ethoxyethyl acetate 67.04
    2-ethylhexyl acetate 47.97
    1,2,4-trichlorobenzene 79.28
    4-methylpyridine 128.73
    dibutyl ether 34.22
    2,6-dimethyl-4-heptanol 18.62
    DEF 132.23
    dimethyl isosorbide 115.67
    tetrachloroethylene 114.68
    eugenol 69.03
    triacetin 69.47
    span 80 70.12
    1,4-butanediol 45.48
    1,1-dichloroethane 96.99
    2-methyl-1-pentanol 41.51
    methyl formate 163.29
    2-methyl-1-butanol 48.64
    n-decane 3.93
    butyronitrile 70.16
    3,7-dimethyl-1-octanol 27.1
    1-chlorooctane 19.02
    1-chlorotetradecane 10.04
    n-nonane 3.34
    undecane 3.27
    tert-butylcyclohexane 3.83
    cyclooctane 2.71
    cyclopentanol 102.6
    tetrahydropyran 190.99
    tert-amyl methyl ether 33.2
    2,5,8-trioxanonane 130.64
    1-hexene 15.95
    2-isopropoxyethanol 56.64
    2,2,2-trifluoroethanol 68.65
    methyl butyrate 77.3

    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