Pyridalyl

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  • Identifiers

    CAS number
    179101-81-6

    Molecular formula
    C18H14Cl4F3NO3

    SMILES
    C1=CC(=NC=C1C(F)(F)F)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 42.44%
    Sweet 30.38%
    Floral 29.57%
    Fruity 25.03%
    Balsamic 23.02%
    Powdery 22.88%
    Savory 22.84%
    Musk 22.74%
    Grape 22.5%
    Animal 20.69%

     

    Flavor
    Bitter 72.62%
    Odorless 41.62%
    Bland 31.04%
    Mild 25.61%
    Sweet-like 22.32%
    Cedarleaf 19.55%
    Orange flower 19.28%
    Nitrile 19.18%
    Parsley 18.84%
    Broom 18.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    6.32 (neutral)

    Molecular weight
    491.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 227 °C (decomposes)

    Flash point

    • 175.49 ˚C est.

    Solubility expt.

    • In acetone, acetonitrile, chloroform, DMF, ethyl acetate, hexanes, n-octanol and xylenes >1000 g/L; in methanol >500 g/L
    • In water, 150 mg/L at 20 °C

  • Synonyms

    • pyridalyl
    • 179101-81-6
    • OVERTURE
    • QTD92Z2P2Z
    • TESORO
    • S-1812
    • NOCTURN
    • PLEO
    • S 1812
    • s1812
    • DTXSID8034875
    • CHEBI:38887
    • 2-(3-{2,6-dichloro-4-[(3,3-dichloroprop-2-en-1-yl)oxy]phenoxy}propoxy)-5-(trifluoromethyl)pyridine
    • Pyridine, 2-(3-(2,6-dichloro-4-((3,3-dichloro-2-propen-1-yl)oxy)phenoxy)propoxy)-5-(trifluoromethyl)-
    • Pyridine, 2-(3-(2,6-dichloro-4-((3,3-dichloro-2-propenyl)oxy)phenoxy)propoxy)-5-(trifluoromethyl)-
    • Pyridine, 2-[3-[2,6-dichloro-4-[(3,3-dichloro-2-propen-1-yl)oxy]phenoxy]propoxy]-5-(trifluoromethyl)-
    • 2-(3-(2,6-Dichloro-4-((3,3-dichloro-2-propen-1-yl)oxy)phenoxy)propoxy)-5-(trifluoromethyl)pyridine
    • 2-(3-(2,6-dichloro-4-((3,3-dichloroprop-2-en-1-yl)oxy)phenoxy)propoxy)-5-(trifluoromethyl)pyridine
    • RefChem:177551
    • GlyTouCan:G02328FJ
    • DTXCID6014875
    • G02328FJ
    • 605-845-4
    • pyridalyl (ISO); 2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-(5-(trifluoromethyl)-2-pyridyloxy)propyl ether
    • Pyridalyl [ISO]
    • UNII-QTD92Z2P2Z
    • HSDB 7892
    • Pyridalyl 100 microg/mL in Cyclohexane
    • 2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine
    • 2-(3-(2,6-dichloro-4-((3,3-dichloroallyl)oxy)phenoxy)propoxy)-5-(trifluoromethyl)pyridine
    • PYRIDALYL [MI]
    • SCHEMBL83386
    • C18H14Cl4F3NO3
    • orb1705422
    • CHEMBL2136658
    • SCHEMBL29354972
    • MSK20418
    • MFCD07364036
    • AKOS040744697
    • NCGC00163775-01
    • HY-119779
    • CS-0077981
    • NS00007630
    • Pyridalyl, PESTANAL(R), analytical standard
    • 101P816
    • Q1915098
    • 2-[3-[2,6-dichloro-4-(3,3-dichloroallyloxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine
    • 3,5-di-chloro-1-(3,3-dichloro-2-propenyloxy)-4-[3-(5-trifluoromethylpyridin-2-yloxy)propyl-oxy]benzene
    • 3,5-di-chloro-1-(3,3-dichloro-2-propenyloxy)-4-[3-(5-trifluoromethylpyridin-2-yloxy)propyloxy]benzene
    • 3,5-dichloro-1-(3,3-dichloro-2-propenyloxy)-4-[3-(5-trifluoromethylpyridin-2-yloxy)propyloxy]benzene
    • 179101-81-6

  • Applications

    Pyridalyl (CAS 179101-81-6) is primarily used as an active ingredient in agricultural pesticides, providing insecticidal protection for crops. Typical applications include protection of field and greenhouse crops, vegetables, and fruiting plants, using formulations such as emulsifiable concentrates (EC) or wettable granules (WG) for foliar spray or soil application. It is commonly incorporated into integrated pest management (IPM) programs to suppress pest populations in line with local regulations, and may be evaluated for use with specialty crops or in particular cropping systems, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.3
    methanol 67.49
    isopropanol 32.68
    water 0.02
    ethyl acetate 117.94
    n-propanol 55.42
    acetone 110.84
    n-butanol 45.59
    acetonitrile 55.32
    DMF 178.36
    toluene 27.33
    isobutanol 34.72
    1,4-dioxane 117.52
    methyl acetate 116.52
    THF 337.3
    2-butanone 123.23
    n-pentanol 41.09
    sec-butanol 46.56
    n-hexane 2.18
    ethylene glycol 9.9
    NMP 237.01
    cyclohexane 2.76
    DMSO 179.93
    n-butyl acetate 67.14
    n-octanol 17.01
    chloroform 238.0
    n-propyl acetate 86.39
    acetic acid 111.96
    dichloromethane 306.22
    cyclohexanone 132.73
    propylene glycol 17.01
    isopropyl acetate 68.86
    DMAc 313.59
    2-ethoxyethanol 132.18
    isopentanol 35.1
    n-heptane 3.99
    ethyl formate 72.91
    1,2-dichloroethane 114.56
    n-hexanol 29.24
    2-methoxyethanol 174.91
    isobutyl acetate 35.07
    tetrachloromethane 11.36
    n-pentyl acetate 56.43
    transcutol 251.98
    n-heptanol 19.05
    ethylbenzene 17.99
    MIBK 47.78
    2-propoxyethanol 114.03
    tert-butanol 29.22
    MTBE 49.24
    2-butoxyethanol 63.74
    propionic acid 60.5
    o-xylene 19.64
    formic acid 46.98
    diethyl ether 70.45
    m-xylene 15.61
    p-xylene 18.9
    chlorobenzene 30.14
    dimethyl carbonate 78.6
    n-octane 1.46
    formamide 94.18
    cyclopentanone 179.61
    2-pentanone 96.71
    anisole 76.12
    cyclopentyl methyl ether 94.93
    gamma-butyrolactone 223.0
    1-methoxy-2-propanol 127.13
    pyridine 124.84
    3-pentanone 82.74
    furfural 220.71
    n-dodecane 1.18
    diethylene glycol 74.29
    diisopropyl ether 13.64
    tert-amyl alcohol 43.76
    acetylacetone 151.18
    n-hexadecane 1.37
    acetophenone 83.49
    methyl propionate 117.48
    isopentyl acetate 48.95
    trichloroethylene 268.18
    n-nonanol 17.86
    cyclohexanol 41.76
    benzyl alcohol 55.52
    2-ethylhexanol 21.82
    isooctanol 15.66
    dipropyl ether 49.98
    1,2-dichlorobenzene 35.36
    ethyl lactate 59.89
    propylene carbonate 115.95
    n-methylformamide 106.5
    2-pentanol 31.97
    n-pentane 2.69
    1-propoxy-2-propanol 82.44
    1-methoxy-2-propyl acetate 119.12
    2-(2-methoxypropoxy) propanol 87.19
    mesitylene 8.05
    ε-caprolactone 141.08
    p-cymene 13.88
    epichlorohydrin 290.12
    1,1,1-trichloroethane 64.4
    2-aminoethanol 29.34
    morpholine-4-carbaldehyde 230.36
    sulfolane 217.3
    2,2,4-trimethylpentane 1.82
    2-methyltetrahydrofuran 153.07
    n-hexyl acetate 55.01
    isooctane 0.8
    2-(2-butoxyethoxy)ethanol 98.62
    sec-butyl acetate 52.34
    tert-butyl acetate 67.82
    decalin 1.81
    glycerin 28.11
    diglyme 227.76
    acrylic acid 60.04
    isopropyl myristate 22.21
    n-butyric acid 82.66
    acetyl acetate 81.7
    di(2-ethylhexyl) phthalate 29.67
    ethyl propionate 87.07
    nitromethane 256.11
    1,2-diethoxyethane 104.98
    benzonitrile 49.41
    trioctyl phosphate 16.73
    1-bromopropane 61.87
    gamma-valerolactone 286.63
    n-decanol 13.46
    triethyl phosphate 43.77
    4-methyl-2-pentanol 16.69
    propionitrile 49.99
    vinylene carbonate 109.59
    1,1,2-trichlorotrifluoroethane 223.36
    DMS 72.4
    cumene 11.12
    2-octanol 13.49
    2-hexanone 76.7
    octyl acetate 32.6
    limonene 19.79
    1,2-dimethoxyethane 228.37
    ethyl orthosilicate 39.54
    tributyl phosphate 22.5
    diacetone alcohol 82.34
    N,N-dimethylaniline 51.88
    acrylonitrile 69.24
    aniline 45.97
    1,3-propanediol 46.27
    bromobenzene 30.87
    dibromomethane 148.34
    1,1,2,2-tetrachloroethane 180.42
    2-methyl-cyclohexyl acetate 51.2
    tetrabutyl urea 38.2
    diisobutyl methanol 12.09
    2-phenylethanol 48.97
    styrene 22.56
    dioctyl adipate 46.19
    dimethyl sulfate 119.7
    ethyl butyrate 77.16
    methyl lactate 81.72
    butyl lactate 53.08
    diethyl carbonate 55.58
    propanediol butyl ether 48.62
    triethyl orthoformate 62.61
    p-tert-butyltoluene 11.91
    methyl 4-tert-butylbenzoate 75.35
    morpholine 170.74
    tert-butylamine 15.38
    n-dodecanol 10.0
    dimethoxymethane 206.07
    ethylene carbonate 77.93
    cyrene 105.76
    2-ethoxyethyl acetate 112.34
    2-ethylhexyl acetate 41.07
    1,2,4-trichlorobenzene 50.54
    4-methylpyridine 99.09
    dibutyl ether 31.29
    2,6-dimethyl-4-heptanol 12.09
    DEF 147.95
    dimethyl isosorbide 157.06
    tetrachloroethylene 104.33
    eugenol 72.81
    triacetin 106.14
    span 80 62.8
    1,4-butanediol 21.81
    1,1-dichloroethane 76.46
    2-methyl-1-pentanol 36.64
    methyl formate 94.34
    2-methyl-1-butanol 43.0
    n-decane 2.15
    butyronitrile 46.26
    3,7-dimethyl-1-octanol 16.58
    1-chlorooctane 11.49
    1-chlorotetradecane 4.34
    n-nonane 1.9
    undecane 1.54
    tert-butylcyclohexane 1.56
    cyclooctane 1.1
    cyclopentanol 51.6
    tetrahydropyran 100.52
    tert-amyl methyl ether 55.29
    2,5,8-trioxanonane 155.81
    1-hexene 13.76
    2-isopropoxyethanol 76.74
    2,2,2-trifluoroethanol 47.96
    methyl butyrate 107.79

    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