Pyriofenone

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  • Identifiers

    CAS number
    688046-61-9

    Molecular formula
    C18H20ClNO5

    SMILES
    CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 45.63%
    Sweet 43.32%
    Powdery 39.46%
    Spicy 38.32%
    Woody 37.3%
    Vanilla 35.24%
    Phenolic 33.61%
    Dry 32.16%
    Musk 31.64%
    Fruity 28.49%

     

    Flavor
    Bitter 80.73%
    Bland 29.15%
    Odorless 25.76%
    Parsley 22.04%
    Cedarleaf 20.59%
    Sweet-like 20.47%
    Eugenol 20.33%
    Carrot 19.59%
    Lovage 19.32%
    Soybean 19.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    4.93 (weak acid)

    Molecular weight
    365.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    522°C

    Flash point

    • 177.57 ˚C est.

  • Synonyms

    • Pyriofenone
    • 688046-61-9
    • Pyriofenone [ISO]
    • IKF-309
    • UNII-4ER76S8IFJ
    • 4ER76S8IFJ
    • (5-chloro-2-methoxy-4-methylpyridin-3-yl)(2,3,4-trimethoxy-6-methylphenyl)methanone
    • (5-chloro-2-methoxy-4-methyl-3-pyridinyl)(2,3,4-trimethoxy-6-methylphenyl)methanone
    • DTXSID8058162
    • CHEBI:83346
    • (5-chloro-2-methoxy-4-methyl-3-pyridyl)(4,5,6-trimethoxy-o-tolyl)methanone
    • RefChem:177777
    • DTXCID4031930
    • 692-456-8
    • IKF 309
    • (5-chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
    • 3-(2,3,4-Trimethoxy-6-methylbenzoyl)-5-chloro-2-methoxy-4-methylpyridine
    • C18H20ClNO5
    • SCHEMBL322562
    • IKF309
    • SCHEMBL29351890
    • SCHEMBL29814930
    • MSK21328
    • AP167305
    • Pyriofenone 100 microg/mL in Acetonitrile
    • DB-214953
    • NS00066830
    • Q19298811
    • (5-chloro-2-methoxy-4-methyl-3-pyridyl)-(2,3,4-trimethoxy-6-methyl-phenyl)methanone
    • Methanone, (5-chloro-2-methoxy-4-methyl-3-pyridinyl)(2,3,4-trimethoxy-6-methylphenyl)-
    • 688046-61-9

  • Applications

    Pyriofenone (CAS 688046-61-9) is an agricultural fungicide used in crop protection to control fungal diseases in crops such as rice, cereals, and vegetables. It is typically formulated for field applications as emulsifiable concentrates or suspension concentrates and is applied as a foliar spray; in some crop protection programs it may also be evaluated for seed treatment. It is used in both greenhouse and field settings, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.76
    methanol 12.46
    isopropanol 11.25
    water 0.02
    ethyl acetate 100.34
    n-propanol 15.78
    acetone 87.32
    n-butanol 16.2
    acetonitrile 56.9
    DMF 124.16
    toluene 31.24
    isobutanol 13.7
    1,4-dioxane 93.08
    methyl acetate 88.83
    THF 154.5
    2-butanone 77.64
    n-pentanol 18.8
    sec-butanol 15.82
    n-hexane 1.97
    ethylene glycol 8.07
    NMP 190.38
    cyclohexane 4.67
    DMSO 113.21
    n-butyl acetate 57.59
    n-octanol 10.91
    chloroform 285.46
    n-propyl acetate 60.43
    acetic acid 75.45
    dichloromethane 290.11
    cyclohexanone 127.43
    propylene glycol 7.75
    isopropyl acetate 56.33
    DMAc 150.64
    2-ethoxyethanol 52.19
    isopentanol 18.3
    n-heptane 2.51
    ethyl formate 60.9
    1,2-dichloroethane 171.0
    n-hexanol 20.73
    2-methoxyethanol 66.25
    isobutyl acetate 38.56
    tetrachloromethane 46.31
    n-pentyl acetate 46.89
    transcutol 55.28
    n-heptanol 15.94
    ethylbenzene 18.63
    MIBK 43.87
    2-propoxyethanol 60.34
    tert-butanol 18.1
    MTBE 25.47
    2-butoxyethanol 40.03
    propionic acid 40.99
    o-xylene 22.53
    formic acid 25.25
    diethyl ether 34.64
    m-xylene 20.66
    p-xylene 25.81
    chlorobenzene 82.72
    dimethyl carbonate 79.93
    n-octane 1.5
    formamide 46.74
    cyclopentanone 177.12
    2-pentanone 66.09
    anisole 44.4
    cyclopentyl methyl ether 66.55
    gamma-butyrolactone 239.34
    1-methoxy-2-propanol 48.2
    pyridine 119.47
    3-pentanone 63.4
    furfural 217.65
    n-dodecane 1.28
    diethylene glycol 56.32
    diisopropyl ether 11.37
    tert-amyl alcohol 22.18
    acetylacetone 126.06
    n-hexadecane 1.57
    acetophenone 65.58
    methyl propionate 93.68
    isopentyl acetate 51.81
    trichloroethylene 416.92
    n-nonanol 11.97
    cyclohexanol 29.86
    benzyl alcohol 47.16
    2-ethylhexanol 19.51
    isooctanol 15.22
    dipropyl ether 21.18
    1,2-dichlorobenzene 91.05
    ethyl lactate 36.75
    propylene carbonate 134.64
    n-methylformamide 59.14
    2-pentanol 13.76
    n-pentane 1.94
    1-propoxy-2-propanol 39.57
    1-methoxy-2-propyl acetate 75.69
    2-(2-methoxypropoxy) propanol 38.45
    mesitylene 12.65
    ε-caprolactone 129.0
    p-cymene 17.04
    epichlorohydrin 261.66
    1,1,1-trichloroethane 167.04
    2-aminoethanol 12.89
    morpholine-4-carbaldehyde 160.29
    sulfolane 251.63
    2,2,4-trimethylpentane 2.19
    2-methyltetrahydrofuran 97.82
    n-hexyl acetate 42.92
    isooctane 1.25
    2-(2-butoxyethoxy)ethanol 40.41
    sec-butyl acetate 41.32
    tert-butyl acetate 57.5
    decalin 3.82
    glycerin 23.31
    diglyme 93.16
    acrylic acid 55.58
    isopropyl myristate 17.98
    n-butyric acid 57.16
    acetyl acetate 101.0
    di(2-ethylhexyl) phthalate 27.61
    ethyl propionate 58.79
    nitromethane 198.15
    1,2-diethoxyethane 37.4
    benzonitrile 70.32
    trioctyl phosphate 18.65
    1-bromopropane 50.52
    gamma-valerolactone 208.95
    n-decanol 9.36
    triethyl phosphate 37.8
    4-methyl-2-pentanol 11.28
    propionitrile 40.98
    vinylene carbonate 138.69
    1,1,2-trichlorotrifluoroethane 201.22
    DMS 71.61
    cumene 13.91
    2-octanol 11.15
    2-hexanone 51.5
    octyl acetate 24.37
    limonene 22.05
    1,2-dimethoxyethane 85.76
    ethyl orthosilicate 32.02
    tributyl phosphate 22.1
    diacetone alcohol 60.25
    N,N-dimethylaniline 31.5
    acrylonitrile 70.76
    aniline 47.46
    1,3-propanediol 23.02
    bromobenzene 90.85
    dibromomethane 151.01
    1,1,2,2-tetrachloroethane 259.47
    2-methyl-cyclohexyl acetate 48.59
    tetrabutyl urea 30.26
    diisobutyl methanol 11.89
    2-phenylethanol 50.31
    styrene 23.58
    dioctyl adipate 32.81
    dimethyl sulfate 135.11
    ethyl butyrate 49.16
    methyl lactate 50.9
    butyl lactate 32.03
    diethyl carbonate 42.9
    propanediol butyl ether 24.03
    triethyl orthoformate 38.19
    p-tert-butyltoluene 14.9
    methyl 4-tert-butylbenzoate 56.09
    morpholine 95.38
    tert-butylamine 10.23
    n-dodecanol 7.32
    dimethoxymethane 96.68
    ethylene carbonate 106.31
    cyrene 75.41
    2-ethoxyethyl acetate 70.74
    2-ethylhexyl acetate 45.12
    1,2,4-trichlorobenzene 104.06
    4-methylpyridine 99.74
    dibutyl ether 15.0
    2,6-dimethyl-4-heptanol 11.89
    DEF 95.52
    dimethyl isosorbide 87.75
    tetrachloroethylene 192.27
    eugenol 53.59
    triacetin 59.82
    span 80 31.13
    1,4-butanediol 14.36
    1,1-dichloroethane 113.14
    2-methyl-1-pentanol 22.17
    methyl formate 69.31
    2-methyl-1-butanol 18.3
    n-decane 1.96
    butyronitrile 38.86
    3,7-dimethyl-1-octanol 12.99
    1-chlorooctane 11.54
    1-chlorotetradecane 5.49
    n-nonane 1.68
    undecane 1.54
    tert-butylcyclohexane 2.82
    cyclooctane 1.85
    cyclopentanol 36.7
    tetrahydropyran 64.17
    tert-amyl methyl ether 28.49
    2,5,8-trioxanonane 62.85
    1-hexene 8.26
    2-isopropoxyethanol 39.4
    2,2,2-trifluoroethanol 61.01
    methyl butyrate 68.53

    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